SCHEMBL6310395

SCHEMBL6310395

COc1ccccc1Sc1ccc(C(=O)NC2CC3CC2CN3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
PTGIR P43119 1/20 0.39
EZH2 Q15910 2/20 0.39
MCOLN2 Q8IZK6 1/20 0.36
MCOLN1 Q9GZU1 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
RAB9A P51151 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

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
SCHEMBL6688885 0.85 HSD17B10 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6303285 0.85 CHRNA7 (0.43) CHRNA7EZH2RAB9A
SCHEMBL6304749 0.85 CHRNA7 (0.43) CHRNA7EZH2RAB9A
SCHEMBL6309892 0.84 CHRNA7 (0.41) CHRNA7EZH2
SCHEMBL6303291 0.84 CHRNA7 (0.42) CHRNA7EZH2
SCHEMBL6305928 0.84 CHRNA7 (0.42) CHRNA7EZH2
SCHEMBL6303374 0.83 CHRNA7 (0.56) CHRNA7EZH2RAB9A
SCHEMBL6303410 0.82 L3MBTL1 (0.46) CHRNA7EZH2
SCHEMBL6305906 0.82 PTGIR (0.39) CHRNA7PTGIREZH2MCOLN2MCOLN1
SCHEMBL7124828 0.82 CHRNA7 (0.40) CHRNA7PTGIREZH2MCOLN2MCOLN1

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-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CHRNA7 2937/4885PTGIR 1089/4885EZH2 4701/4885

“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.