SCHEMBL16632641

SCHEMBL16632641

N#Cc1cc2c(Br)cccn2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
CHRNA7 P36544 1/20 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
TSHR P16473 1/20 0.31
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
EGLN2 Q96KS0 1/20 0.30
ALDH1A3 P47895 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
SCHEMBL17331981 0.79 ALDH1A1 (0.49) GRM5TSHRKDM4EALDH1A1GLA
SCHEMBL16634406 0.71 GRM5 (0.40) GRM5MEN1TTRALBKMT2A
SCHEMBL16632526 0.71 GRM5 (0.35) GRM5MEN1TTRALBKMT2A
SCHEMBL16632542 0.71 GRM5 (0.41) GRM5MEN1TTRALBKMT2A
SCHEMBL27150880 0.70 XDH (0.38) GRM5CDC7CDK2HTT
SCHEMBL16632488 0.69 AR (0.48) GRM5TSHRKDM4EALDH1A1HTT
SCHEMBL16632447 0.69 AR (0.39) GRM5TSHRGAA
SCHEMBL1994209 0.68 ALDH1A1 (0.43) GRM5CHRNA7MEN1KMT2ATSHR
SCHEMBL27972529 0.67 CHRNA7 (0.51) CHRNA7MEN1TTRKMT2ATSHR
SCHEMBL28873640 0.66 MAOA (0.35) TSHR

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 2115/4885CHRNA7 4703/4885MEN1 4881/4885

“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.