SCHEMBL2200446

SCHEMBL2200446

COc1ccc(C(C#N)Cc2noc3cc(O)ccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.43
ESR2 Q92731 12/20 0.43
MEN1 O00255 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
TP53 P04637 2/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
NOD2 Q9HC29 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
BCL2 P10415 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL4402156 0.85 ESR1 (0.44) ESR1ESR2MEN1CYP3A4CYP2C9
SCHEMBL12424007 0.74 PPARG (0.37)
SCHEMBL4401177 0.73 MAPT (0.39) ESR1ESR2TP53MAPTKDM4E
SCHEMBL15653285 0.73 ADRB2 (0.44) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL23606201 0.73 ESR2 (0.76) ESR1ESR2MEN1CYP3A4CYP2C9
SCHEMBL2200450 0.72 ESR1 (0.50) ESR1ESR2MEN1CYP3A4CYP2C9
SCHEMBL1941841 0.70 SLC6A4 (0.36) MEN1CYP2C19KMT2ACYP1A2TP53
SCHEMBL1940345 0.69 ACHE (0.45) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL2202861 0.68 ESR1 (0.50) ESR1ESR2MEN1CYP3A4CYP2C9
SCHEMBL19951523 0.68 ALDH1A1 (0.61) ESR1ESR2MEN1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173679-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2012-05-08 US disclosed
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2011-09-29 US disclosed
US-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 US disclosed
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERAMEX (FR) 2009-01-22 US disclosed
EP-1647549-A1 Indazoles, benzisoxazoles and benzisothiazoles as estrogenic agents LABORATOIRE THERAMEX (MC) 2006-04-19 EP 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-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885MEN1 2374/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885MEN1 2374/4885

“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.