SCHEMBL2169577

SCHEMBL2169577

O=Cc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
PDE10A Q9Y233 1/20 0.56
DHODH Q02127 1/20 0.53
HPGD P15428 1/20 0.51
CYP2C9 P11712 1/20 0.48
CYP3A4 P08684 1/20 0.48
POLB P06746 1/20 0.46
ACACA Q13085 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACP1 P24666 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TACR3 P29371 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
SLC2A1 P11166 1/20 0.45

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
SCHEMBL19651360 0.91 NPC1 (0.44) ACHESMN1; SMN2KDM4ELMNAPDE10A
SCHEMBL26649401 0.90 DHODH (0.57) ACHESMN1; SMN2KDM4ELMNAPDE10A
SCHEMBL27939580 0.89 CYP19A1 (0.56) ACHESMN1; SMN2KDM4ELMNAPDE10A
SCHEMBL26649504 0.86 KMT2A (0.53) SMN1; SMN2KDM4ELMNAHPGDACP1
SCHEMBL13568539 0.85 CYP3A4 (0.53) SMN1; SMN2KDM4ELMNAPDE10ADHODH
SCHEMBL9361568 0.85 MAPT (0.66) SMN1; SMN2KDM4ELMNAHPGDPOLB
SCHEMBL16099274 0.84 MAPK1 (0.52) SMN1; SMN2KDM4ELMNADHODHHPGD
SCHEMBL26649316 0.84 DHODH (0.53) ACHESMN1; SMN2KDM4ELMNAPDE10A
SCHEMBL20561472 0.83 TOP1 (0.55) SMN1; SMN2KDM4ELMNAHPGDCYP2C9
SCHEMBL9054831 0.81 KDM4E (0.67) SMN1; SMN2KDM4ELMNAHPGDACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100797-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LTD (GB) 2003-02-26 EP claimed
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 US claimed
EP-1100797-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES Pfizer Limited (GB) 2001-05-23 EP claimed
WO-2000005232-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LIMITED (GB) 2000-02-03 WO claimed
WO-2023219456-A1 QUINOLINE-BASED HISTONE DEACETYLASE INHIBITORY SUBSTANCES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS ACTIVE INGREDIENT 숙명여자대학교 산학협력단 2023-11-16 WO disclosed
US-10179770-B2 Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA (FR) 2019-01-15 US disclosed
US-10179770-B2 Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA (FR) 2019-01-15 US disclosed
CN-105102442-B Quinoline as anticarcinogen 基因科学医药公司 2018-11-09 CN disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
EP-1089958-A2 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND ALPHA,BETA-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-04-11 EP disclosed
US-6133409-A REACTING A SOLID SUPPORT-BOUND N-ALKYLATED HYDROXAMIC ACID WITH A CARBON-NITROGEN CLEAVING ORGANOMETALLIC COMPUND TO LIBERATE THE PRODUCT KETONE AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-17 US disclosed
WO-2000013681-A2 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) VERNALIS RESEARCH LIMITED (GB) 2000-03-16 WO disclosed
WO-2000005232-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LIMITED (GB) 2000-02-03 WO disclosed
CN-1240418-A Solid phase synthesis of aldehydes, ketones, oximes, amines and hydroxamic acid compounds RHONE POULENC RORER PHARMA (US) 2000-01-05 CN disclosed
WO-1999067192-A2 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND α,β-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed
EP-0946478-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-10-06 EP disclosed
WO-1998029376-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-09 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 (1 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-10179770-B2 Quinolines derivatives as novel anticancer agents NQO2, MKI67, NQO1 ACHE 2115/4885SMN1; SMN2 3931/4885KDM4E 979/4885

“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.