SCHEMBL3601522

SCHEMBL3601522

O=C(O)NC1C=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
SIGMAR1 Q99720 5/20 0.35
HDAC4 P56524 2/20 0.34
HTR6 P50406 1/20 0.33
HTR2A P28223 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CYP2D6 P10635 1/20 0.33
EDNRA P25101 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL3601520 0.85 HTR2A (0.33) MEN1KMT2ALMNAATMSIGMAR1
SCHEMBL835707 0.84 MTNR1A (0.39) MEN1KMT2ALMNAATMSIGMAR1
SCHEMBL7742519 0.84 HTR2A (0.36) MEN1KMT2ALMNAATMSIGMAR1
SCHEMBL28106726 0.82 HTR6 (0.32) MEN1KMT2ALMNAATMSIGMAR1
SCHEMBL1920068 0.80 SSTR1 (0.36) MEN1KMT2ALMNANFKB1NFKB2
SCHEMBL4510567 0.76 HTR6 (0.33) LMNASIGMAR1HTR6HTR2ANFKB1
SCHEMBL4510570 0.76 HTR2A (0.36) MEN1KMT2ALMNASIGMAR1HTR6
SCHEMBL6542107 0.76 HTR2A (0.40) MEN1KMT2ALMNASIGMAR1HTR6
SCHEMBL30256972 0.75 SIGMAR1 (0.36) MEN1KMT2ALMNASIGMAR1HDAC4
SCHEMBL28013372 0.75 ALDH1A1 (0.48) MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025081045-A9 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-12-26 WO disclosed
US-11278526-B2 Compounds and methods for treating lupus RECEPTOS LLC (US) 2022-03-22 US disclosed
CN-104903310-B Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain 阵列生物制药公司 2018-08-14 CN disclosed
WO-2012158550-A9 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2017-10-26 WO disclosed
EP-2706999-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS Receptos, Inc. (US) 2014-03-19 EP disclosed
WO-2012158550-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2012-11-22 WO disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
EP-1656136-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-05-17 EP disclosed
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2005020986-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 WO disclosed
WO-2005018637-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-03 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 (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-11278526-B2 Compounds and methods for treating lupus S1PR1, S1PR2, SSB MEN1 2145/4885KMT2A 1801/4885LMNA 541/4885
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 MEN1 1312/4885KMT2A 3612/4885LMNA 2035/4885

“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.