SCHEMBL16632542

SCHEMBL16632542

Cc1cc(Br)c2cc(C#N)cn2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.41
MEN1 O00255 1/20 0.34
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTT P42858 1/20 0.30

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
SCHEMBL16632526 0.79 GRM5 (0.35) GRM5MEN1TTRALBKMT2A
SCHEMBL16634406 0.79 GRM5 (0.40) GRM5MEN1TTRALBKMT2A
SCHEMBL16632641 0.71 GRM5 (0.38) GRM5MEN1TTRALBKMT2A
SCHEMBL16632640 0.67 AR (0.49) GRM5ALDH1A1HTT
SCHEMBL3594658 0.67 ALDH1A1 (0.45) GRM5TTRALBALDH1A1CYP2A6
SCHEMBL16632649 0.67 GRM5 (0.41) GRM5
SCHEMBL17331981 0.64 ALDH1A1 (0.49) GRM5ALDH1A1
SCHEMBL3328451 0.62 ALDH1A1 (0.39) GRM5MEN1KMT2AALDH1A1CYP2A6
SCHEMBL24129430 0.61 TTR (0.58) MEN1TTRALBKMT2AALDH1A1
SCHEMBL16632648 0.60 ALDH1A1 (0.38) GRM5MEN1KMT2AALDH1A1

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 6 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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
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
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
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 2115/4885MEN1 4881/4885TTR 4120/4885

“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.