SCHEMBL1940939

SCHEMBL1940939

c1ccc(COc2ccc3c(C4CCCCC4)noc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.46
TDP1 Q9NUW8 3/20 0.46
ACHE P22303 3/20 0.44
HRH3 Q9Y5N1 4/20 0.44
HTR1A P08908 3/20 0.44
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
KCNH2 Q12809 2/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
HTR6 P50406 1/20 0.44
NPC1 O15118 1/20 0.44
MAOA P21397 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL1939532 1.00 MAOB (0.46) MAOBTDP1ACHEHRH3HTR1A
SCHEMBL5188543 0.87 MAOB (0.40) MAOBTDP1ACHEHRH3HTR1A
SCHEMBL1939733 0.77 HTR1A (0.61) ACHEHRH3HTR1ADRD2HTR2A
SCHEMBL1941458 0.76 ABL1 (0.47) MAOBHRH3MAOA
SCHEMBL1942609 0.76 HRH3 (0.44) MAOBTDP1HRH3MAOA
SCHEMBL1941346 0.76 ABL1 (0.47) MAOBHRH3MAOA
SCHEMBL8291371 0.76 MAOB (0.52) MAOBTDP1ACHENPC1MAOA
SCHEMBL8305850 0.76 MAOB (0.52) MAOBTDP1ACHENPC1MAOA
SCHEMBL1940172 0.75 CTSV (0.46) MAOBHRH3MAOA
SCHEMBL1939994 0.74 HTR3A (0.53) HRH3HTR2AHTR2CNPC1RAB9A

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 6 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
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
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 MAOB 1421/4885TDP1 4012/4885ACHE 1147/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 MAOB 1421/4885TDP1 4012/4885ACHE 1147/4885

“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.