SCHEMBL3338932

SCHEMBL3338932

CC(C#N)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CASR P41180 1/20 0.41
MCL1 Q07820 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL23836183 0.81 SIGMAR1 (0.52) SIGMAR1KDM4ECYP3A4MAPTPOLB
SCHEMBL7746605 0.80 SIGMAR1 (0.55) SIGMAR1KDM4ECYP3A4MAPTPOLB
SCHEMBL1716115 0.80 SIGMAR1 (0.55) SIGMAR1KDM4ECYP3A4MAPTPOLB
SCHEMBL7346313 0.80 SIGMAR1 (0.55) SIGMAR1KDM4ECYP3A4MAPTPOLB
SCHEMBL19185547 0.79 SIGMAR1 (0.48) SIGMAR1KDM4ECYP3A4MAPTPOLB
SCHEMBL9181344 0.78 SIGMAR1 (0.63) SIGMAR1KDM4ECYP3A4MAPTPOLB
Hydrochloric Acid SCHEMBL10889430 0.78 SIGMAR1 (0.53) SIGMAR1KDM4ECYP3A4MAPTPOLB
SCHEMBL24019759 0.77 SIGMAR1 (0.47) SIGMAR1KDM4ECYP3A4MAPTPOLB
SCHEMBL22899588 0.76 SIGMAR1 (0.65) SIGMAR1KDM4ECYP3A4MAPTPOLB
SCHEMBL3413593 0.76 SIGMAR1 (0.65) SIGMAR1KDM4ECYP3A4MAPTPOLB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195680-B Preparation method and application of aromatic secondary diamine chain extender 苏州湘园新材料股份有限公司 2024-07-02 CN claimed
EP-0323399-B1 OPTICAL BRIGHTENER DISPERSION CIBA-GEIGY AG (CH) 1993-02-17 EP claimed
CN-114195680-B Preparation method and application of aromatic secondary diamine chain extender 苏州湘园新材料股份有限公司 2024-07-02 CN disclosed
CN-117903067-A Synthesis method of trimethoprim 山西同济药业有限公司 2024-04-19 CN disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
CN-114195680-A Preparation method and application of aromatic diamine chain extender 苏州湘园新材料股份有限公司 2022-03-18 CN disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
WO-2021212039-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-10-21 WO disclosed
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-09-21 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
EP-1370265-B1 HIV INHIBITING PYRAZINONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-07-25 EP disclosed
WO-2004009559-A2 DIHYDROURACIL COMPOUNDS AS ANTI-ICTOGENIC OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-01-29 WO disclosed
EP-0066415-A2 N-(arylthioalkyl)-N'-(aminoalkyl)ureas A.H. ROBINS COMPANY, INCORPORATED (US) 1982-12-08 EP disclosed
US-4052553-A BACTERICIDE, ANTIMALARIAL BURROUGHS WELLCOME CO. (US) 1977-10-04 US 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 (2 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-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL SIGMAR1 4383/4885KDM4E 3119/4885CYP3A4 1077/4885
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 SIGMAR1 1143/4885KDM4E 1755/4885CYP3A4 2720/4885

“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.