SCHEMBL4401177

SCHEMBL4401177

Cc1ccc2c(CC(C#N)c3ccccc3)noc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
THRB P10828 1/20 0.34
ACHE P22303 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PLK1 P53350 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GRM4 Q14833 1/20 0.32

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) ACHEESR1ESR2
SCHEMBL12424007 0.81 PPARG (0.37) ACHEPRMT5WDR77GRM4
SCHEMBL20653280 0.75 GRM4 (0.46) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL2200446 0.73 ESR1 (0.43) MAPTTP53SMN1; SMN2NPC1HPGD
SCHEMBL17233224 0.70 MAPT (0.47) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL11018798 0.69 ESR2 (0.56) SMN1; SMN2ESR1ESR2
SCHEMBL4406390 0.69 MAPT (0.46) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL28606112 0.68 CTSB (0.50) ESR1ESR2
SCHEMBL14564409 0.67 MAPT (0.78) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL28606109 0.66 ESR2 (0.56) LMNATDP1ESR1ESR2

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 2 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

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 MAPT 3905/4885LMNA 3061/4885TP53 1785/4885

“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.