SCHEMBL16632728

SCHEMBL16632728

COc1cc(F)ccc1Oc1cccn2cc(C#N)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
GRM5 P41594 2/20 0.41
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
SLC6A4 P31645 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL16632347 0.95 GRM5 (0.41) ARGRM5SCN8ASCN10ASMN1; SMN2
SCHEMBL16632561 0.89 AR (0.41) ARGRM5SLC6A4SMN1; SMN2KDM4E
SCHEMBL16632488 0.89 AR (0.48) ARGRM5SMN1; SMN2KDM4ELMNA
SCHEMBL16632599 0.88 AR (0.45) ARGRM5SCN8ASCN10ASLC6A4
SCHEMBL16632744 0.87 SLC6A4 (0.50) ARSLC6A4SMN1; SMN2KDM4ELMNA
SCHEMBL16632389 0.84 AR (0.45) ARGRM5SCN8ASCN10ASLC6A4
SCHEMBL16632571 0.84 GRM5 (0.37) ARGRM5KDM4EALDH1A1
SCHEMBL16632602 0.84 GRM5 (0.37) ARGRM5KDM4EALDH1A1
SCHEMBL16632481 0.83 SLC6A4 (0.44) ARGRM5SCN8ASCN10ASLC6A4
SCHEMBL16632341 0.82 AR (0.45) ARGRM5SCN8ASCN10ASMN1; SMN2

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 2115/4885SCN8A 4760/4885

“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.