SCHEMBL1940429

SCHEMBL1940429

c1ccc(COc2ccc(-n3nc(C4CCCC4)c4ccc(OCc5ccccc5)cc43)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.47
MDM2 Q00987 2/20 0.44
HRH3 Q9Y5N1 3/20 0.43
CYP2D6 P10635 2/20 0.43
DYRK1A Q13627 1/20 0.43
HTR3A P46098 1/20 0.42
MCHR1 Q99705 4/20 0.42
KCNH2 Q12809 2/20 0.42
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
IGF1R P08069 4/20 0.41
FDFT1 P37268 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BTK Q06187 1/20 0.40

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
SCHEMBL1941016 0.84 CNR1 (0.46) HRH3CYP2D6DYRK1AHTR3A
SCHEMBL1939994 0.84 HTR3A (0.53) HRH3CYP2D6DYRK1AHTR3AMCHR1
SCHEMBL1942089 0.83 CNR2 (0.45) HRH3CYP2D6DYRK1AHTR3A
SCHEMBL1939452 0.80 HRH3 (0.43) HRH3CYP2D6DYRK1AHTR3AIGF1R
SCHEMBL1940284 0.80 HRH3 (0.43) HRH3CYP2D6DYRK1AHTR3AIGF1R
SCHEMBL1941007 0.80 CNR2 (0.48) HRH3MCHR1KCNH2KDM4ESMN1; SMN2
SCHEMBL1940935 0.79 CA12 (0.44) HRH3CYP2D6DYRK1A
SCHEMBL15615103 0.76 MAOB (0.43) MDM2MCHR1KCNH2IGF1RFDFT1
SCHEMBL1131017 0.73 MDM2 (0.43) MDM2HRH3CYP2D6MCHR1KCNH2
SCHEMBL1940172 0.73 CTSV (0.46) HRH3CYP2D6SMN1; SMN2

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 10 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
CN-101080395-B Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents THERAMEX SAM LAB 2011-08-17 CN disclosed
US-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 US disclosed
EP-1812404-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS THERAMEX (MC) 2011-06-15 EP disclosed
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERAMEX (FR) 2009-01-22 US disclosed
CN-101080395-A Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents THERAMEX (MC) 2007-11-28 CN disclosed
EP-1812404-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2007-08-01 EP disclosed
WO-2006040351-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2006-04-20 WO 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 KHK 2477/4885MDM2 891/4885HRH3 577/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 KHK 2477/4885MDM2 891/4885HRH3 577/4885

“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.