SCHEMBL1940172

SCHEMBL1940172

c1ccc(COc2ccc3c(C4CCCC4)n[nH]c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
ABL1 P00519 2/20 0.46
FGFR1 P11362 2/20 0.46
FLT1 P17948 2/20 0.46
FLT3 P36888 3/20 0.45
MAOA P21397 2/20 0.45
IMPDH2 P12268 1/20 0.44
KIT P10721 2/20 0.43
HRH3 Q9Y5N1 3/20 0.43
CYP2D6 P10635 2/20 0.43
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MDH2 P40926 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TTK P33981 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42

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
SCHEMBL1941346 0.99 ABL1 (0.47) CTSVCTSLABL1FGFR1FLT1
SCHEMBL1941458 0.99 ABL1 (0.47) CTSVCTSLABL1FGFR1FLT1
SCHEMBL11963403 0.78 IKBKE (0.54) CTSVCTSLFLT3MAOAIMPDH2
SCHEMBL6361638 0.77 MAOA (0.60) CTSVCTSLFLT3MAOAIMPDH2
SCHEMBL1940769 0.77 ITK (0.41) MAOACYP2D6ALDH1A1HPGDSMN1; SMN2
SCHEMBL7252553 0.76 CTSV (0.55) CTSVCTSLMAOAIMPDH2HRH3
Ammonia Solution, Strong SCHEMBL2304019 0.76 TTK (0.46) FGFR1ALDH1A1HPGDTTK
SCHEMBL1940939 0.75 MAOB (0.46) MAOAHRH3MAOB
SCHEMBL1939532 0.75 MAOB (0.46) MAOAHRH3MAOB
SCHEMBL1942609 0.75 HRH3 (0.44) CTSVCTSLMAOAHRH3CYP2D6

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 CTSV 4018/4885CTSL 4420/4885ABL1 805/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 CTSV 4018/4885CTSL 4420/4885ABL1 805/4885

“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.