SCHEMBL16632649

SCHEMBL16632649

Cc1cc(Oc2ccccc2O)c2cc(C#N)cn2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.41
AR P10275 5/20 0.39
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL16632586 0.86 GRM5 (0.40) GRM5AR
SCHEMBL16632640 0.86 AR (0.49) GRM5ARHSD17B10LMNATSHR
SCHEMBL16632457 0.85 AR (0.36) GRM5ARLMNAPGR
SCHEMBL16632575 0.85 AR (0.39) GRM5AR
SCHEMBL16632447 0.83 AR (0.39) GRM5ARLMNACA1CA2
SCHEMBL16632389 0.77 AR (0.45) GRM5AR
SCHEMBL16632402 0.75 TSHR (0.38) GRM5RAB9AHSD17B10LMNAALOX15
SCHEMBL16632694 0.74 GRM5 (0.37) GRM5AR
SCHEMBL16632341 0.72 AR (0.45) GRM5ARHSD17B10LMNATSHR
SCHEMBL16632281 0.72 TTR (0.47) GRM5ARLMNAPGR

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 GRM5 2115/4885AR 3070/4885RAB9A 4486/4885

“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.