SCHEMBL16632640

SCHEMBL16632640

COc1ccccc1Oc1cc(C)cn2cc(C#N)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.49
GRM5 P41594 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 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
SCHEMBL16632389 0.88 AR (0.45) ARGRM5SLC6A4
SCHEMBL16632649 0.86 GRM5 (0.41) ARGRM5LMNATSHRHSD17B10
SCHEMBL16632341 0.86 AR (0.45) ARGRM5SMN1; SMN2KDM4ELMNA
SCHEMBL16632488 0.84 AR (0.48) ARGRM5SMN1; SMN2KDM4ELMNA
SCHEMBL16632599 0.78 AR (0.45) ARGRM5SMN1; SMN2KDM4ELMNA
SCHEMBL16632586 0.78 GRM5 (0.40) ARGRM5SLC6A2SLC6A3
SCHEMBL16632394 0.75 SLC6A4 (0.53) ARSMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL16632582 0.75 ALDH1A1 (0.42) ARSMN1; SMN2KDM4ETSHRRECQL
SCHEMBL16632738 0.74 L3MBTL1 (0.40) LMNATSHRNPSR1ALDH1A1MAPK1
SCHEMBL16632481 0.74 SLC6A4 (0.44) ARGRM5SLC6A4SLC6A2SLC6A3

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 2115/4885SMN1; SMN2 3595/4885

“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.