SCHEMBL16632341

SCHEMBL16632341

COc1ccccc1Oc1cc(F)cn2cc(C#N)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.45
GRM5 P41594 4/20 0.42
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL16632599 0.92 AR (0.45) ARGRM5KDM4ELMNATSHR
SCHEMBL16632640 0.86 AR (0.49) ARGRM5KDM4ELMNATSHR
SCHEMBL16632583 0.86 GRM5 (0.38) ARGRM5SLC22A12SCN8ASCN10A
SCHEMBL16632585 0.85 AR (0.45) ARGRM5KDM4ELMNATSHR
SCHEMBL16632575 0.85 AR (0.39) ARGRM5L3MBTL1MAPT
SCHEMBL16632389 0.84 AR (0.45) ARGRM5SLC22A12SCN8ASCN10A
SCHEMBL16632481 0.83 SLC6A4 (0.44) ARGRM5SLC22A12SCN8ASCN10A
SCHEMBL16632488 0.83 AR (0.48) ARGRM5KDM4ELMNATSHR
SCHEMBL16632728 0.82 AR (0.46) ARGRM5KDM4ELMNATSHR
SCHEMBL16632347 0.82 GRM5 (0.41) ARGRM5KDM4ELMNATSHR

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 2115/4885KDM4E 2839/4885

“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.