SCHEMBL2197946

SCHEMBL2197946

N#CC(Cc1ccc(F)cc1)c1noc2cc(O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.45
ESR2 Q92731 20/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AA1 P07900 3/20 0.38

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
SCHEMBL2202861 0.93 ESR1 (0.50) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL2198400 0.87 ESR1 (0.49) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL2199591 0.86 ESR1 (0.45) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL2397089 0.84 ESR1 (0.46) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL1941841 0.75 SLC6A4 (0.36) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL1939644 0.73 HSP90AB1 (0.56) ESR1ESR2HSP90AA1
SCHEMBL15653285 0.68 ADRB2 (0.44) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4402156 0.68 ESR1 (0.44) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL12589320 0.67 ESR1 (0.53) ESR1ESR2ALDH1A1HSP90AA1
SCHEMBL2200446 0.64 ESR1 (0.43) ESR1ESR2MEN1ALDH1A1CYP1A2

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-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 US claimed
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
CN-101080395-B Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents THERAMEX SAM LAB 2011-08-17 CN disclosed
CN-101080395-A Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents THERAMEX (MC) 2007-11-28 CN 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-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.