SCHEMBL16632488

SCHEMBL16632488

COc1ccccc1Oc1cccn2cc(C#N)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
GRM5 P41594 1/20 0.38
MAPK1 P28482 3/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL16632347 0.89 GRM5 (0.41) ARSMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL16632728 0.89 AR (0.46) ARSMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL16632744 0.87 SLC6A4 (0.50) ARSMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL16632561 0.87 AR (0.41) ARSMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL16632640 0.84 AR (0.49) ARSMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL16632447 0.83 AR (0.39) ARTSHRLMNAGRM5MAPT
SCHEMBL16632341 0.83 AR (0.45) ARSMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL16632582 0.80 ALDH1A1 (0.42) ARSMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL16632571 0.76 GRM5 (0.37) ARKDM4EGRM5ALDH1A1
SCHEMBL16632725 0.76 GRM5 (0.34) 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 3070/4885SMN1; SMN2 3595/4885TSHR 4583/4885

“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.