SCHEMBL16632575

SCHEMBL16632575

N#Cc1cc2c(Oc3ccccc3O)cc(F)cn2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.39
GRM5 P41594 4/20 0.37
GPR6 P46095 1/20 0.32
SCN9A Q15858 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
APEX1 P27695 1/20 0.30
CYP11B1 P15538 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16632694 0.90 GRM5 (0.37) ARGRM5GPR6SCN9A
SCHEMBL16632457 0.85 AR (0.36) ARGRM5POLBMAPTHPGD
SCHEMBL16632649 0.85 GRM5 (0.41) ARGRM5
SCHEMBL16632341 0.85 AR (0.45) ARGRM5MAPTL3MBTL1
SCHEMBL16632593 0.83 GRM5 (0.33) GRM5
SCHEMBL16632447 0.83 AR (0.39) ARGRM5MAPTCYP11B1
SCHEMBL16632602 0.81 GRM5 (0.37) ARGRM5GPR6SCN9A
SCHEMBL16632599 0.80 AR (0.45) ARGRM5
SCHEMBL16632736 0.79 GRM5 (0.35) ARGRM5MAPTHPGD
SCHEMBL16632586 0.79 GRM5 (0.40) ARGRM5

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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR AR 3070/4885GRM5 2115/4885GPR6 3949/4885

“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.