SCHEMBL904817

SCHEMBL904817

Cn1nnc2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
SLC9A1 P19634 1/20 0.53
KEAP1 Q14145 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
PKM P14618 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ethane SCHEMBL11551567 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
Methane SCHEMBL1965180 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL537962 0.78 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL10328256 0.77 FEN1 (0.42) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL12247551 0.77 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL29350840 0.76 MEN1 (0.57) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL7607425 0.76 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL14438168 0.76 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL2954 0.76 MEN1 (0.57) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL7606134 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012166891-A2 MU-OPIOID RECEPTOR BINDING COMPOUNDS ALGYNOMICS INC. (US) 2012-12-06 WO claimed
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
CN-114835599-A Preparation method of o-aryl benzamide compound 绍兴久孚新材料科技有限公司 2022-08-02 CN disclosed
US-20220135614-A1 SYNTHESIS OF BICYCLE TOXIN CONJUGATES, AND INTERMEDIATES THEREOF Bicyclerd Limited (GB) 2022-05-05 US disclosed
US-10851082-B2 Substituted aromatic n-heterocyclic compounds as inhibitors of mitogen-activated protein kinase interacting kinase 1 (MNK1) and 2 (MNK2) NORTHWESTERN UNIVERSITY (US) 2020-12-01 US disclosed
EP-3738434-A1 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2020-11-18 EP disclosed
US-10791739-B2 Binary compositions as disruptors of orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2020-10-06 US disclosed
US-10781184-B2 Substituted benzazinones as antibacterial compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-22 US disclosed
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING VANDERBILT UNIVERSITY 2018-04-05 US disclosed
US-9730928-B2 Trizol-1-OL analogs anti-retroviral latency drugs UNIVERISTY OF UTAH RESEARCH FOUNDATION (US) 2017-08-15 US disclosed
US-20080114169-A1 Isotopically enriched N-substituted piperazines and methods for the preparation thereof APPLIED BIOSYSTEMS, LLC 2008-05-15 US disclosed
US-7355045-B2 Isotopically enriched N-substituted piperazine acetic acids and methods for the preparation thereof APPLERA CORPORATION (US) 2008-04-08 US disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
US-7307169-B2 Isotopically enriched N-substituted piperazines and methods for the preparation thereof APPLERA CORPORATION (US) 2007-12-11 US disclosed
US-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same SAI NIPPON PRINTING CO., LTD. (JP) 2007-11-22 US disclosed
US-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same SAI NIPPON PRINTING CO., LTD. (JP) 2007-11-22 US disclosed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
US-20070027296-A1 Method for preparing poly (lactic acid)- based resin and its co-polymers SHANGHAI TONG-JIE-LIANG BIOMATERIALS CO., LTD. (CN) 2007-02-01 US disclosed
US-7157581-B2 Monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-02 US disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10851082-B2 Substituted aromatic n-heterocyclic compounds as inhibitors of mitogen-activated protein kinase interacting kinase 1 (MNK1) and 2 (MNK2) MAP4K2, MAP3K20, MKNK2 ALDH1A1 4646/4885SMN1; SMN2 452/4885CYP1A2 4568/4885
US-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same CDH1, VIL1, TET1 ALDH1A1 2903/4885SMN1; SMN2 3275/4885CYP1A2 2849/4885
US-20080114169-A1 Isotopically enriched N-substituted piperazines and methods for the preparation thereof ALKBH5, NPEPPS, PNMT ALDH1A1 580/4885SMN1; SMN2 437/4885CYP1A2 833/4885
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING OR51E2, OR10J3, ORC3 ALDH1A1 2668/4885SMN1; SMN2 3929/4885CYP1A2 2568/4885
US-10781184-B2 Substituted benzazinones as antibacterial compounds LPXN, MLX, ZYX ALDH1A1 2221/4885SMN1; SMN2 4553/4885CYP1A2 1428/4885
US-20220135614-A1 SYNTHESIS OF BICYCLE TOXIN CONJUGATES, AND INTERMEDIATES THEREOF BTD, ANTXR2, CYCS ALDH1A1 3317/4885SMN1; SMN2 3198/4885CYP1A2 660/4885
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 ALDH1A1 1221/4885SMN1; SMN2 2939/4885CYP1A2 859/4885
US-10791739-B2 Binary compositions as disruptors of orco-mediated odorant sensing OR51E2, OR10J3, ORC3 ALDH1A1 2668/4885SMN1; SMN2 3929/4885CYP1A2 2568/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.