SCHEMBL7199002

SCHEMBL7199002

COc1ccc2c(c1)=COCC=2CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
ADRA1A P35348 2/20 0.34
CYP3A4 P08684 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HTR2B P41595 2/20 0.34
BLM P54132 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDO1 P14902 1/20 0.33
HTR2C P28335 2/20 0.33

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
SCHEMBL7199549 0.85 ALDH1A1 (0.33) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL7201066 0.77 MTNR1A (0.48) SMN1; SMN2
SCHEMBL5225148 0.73 MTNR1A (0.52)
SCHEMBL26908653 0.69 CA12 (0.42) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL7199669 0.64 HTR2A (0.35) MAOBLOXL2HTR2BHTR2CHTR2A
SCHEMBL5229799 0.64 CA12 (0.36) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL29853727 0.59 CYP1A2 (0.40) MAOBMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL1197172 0.59 APLNR (0.61) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL1134725 0.59 CA1 (0.56) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL346791 0.59 CA1 (0.56) MEN1KMT2AALDH1A1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 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 (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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 MAOB 126/4885LOXL2 3077/4885MEN1 1888/4885

“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.