SCHEMBL16632526

SCHEMBL16632526

N#Cc1cc2c(Br)cc(Cl)cn2c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.35
MEN1 O00255 1/20 0.34
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
KMT2A Q03164 1/20 0.34
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
SCHEMBL16634406 0.79 GRM5 (0.40) GRM5MEN1TTRALBKMT2A
SCHEMBL16632542 0.79 GRM5 (0.41) GRM5MEN1TTRALBKMT2A
SCHEMBL16632641 0.71 GRM5 (0.38) GRM5MEN1TTRALBKMT2A
SCHEMBL16632585 0.67 AR (0.45) GRM5HTT
SCHEMBL16632281 0.67 TTR (0.47) GRM5TTR
SCHEMBL16632394 0.67 SLC6A4 (0.53) TTR
SCHEMBL16632457 0.67 AR (0.36) GRM5MEN1TTRKMT2A
SCHEMBL27150880 0.63 XDH (0.38) GRM5HTT
SCHEMBL15409258 0.61 TTR (0.58) GRM5MEN1TTRALBKMT2A
SCHEMBL20906101 0.60 XDH (0.46) MEN1TTRALBKMT2AHTT

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 2115/4885MEN1 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.