SCHEMBL16632564

SCHEMBL16632564

Clc1cc(Br)c2cc(Br)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.58
AHR P35869 13/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
ERN1 O75460 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL16345161 0.79 MCL1 (0.54) MCL1AHRMAOAMAOBSIRT2
SCHEMBL28730094 0.75 MCL1 (0.50) MCL1AHRCA1CA2SIRT2
SCHEMBL16345420 0.75 MCL1 (0.54) MCL1AHRCA1CA2SIRT2
SCHEMBL18325887 0.75 MCL1 (0.50) MCL1AHRMAOBSIRT2
SCHEMBL16632699 0.75 MCL1 (0.50) MCL1AHRF2RL3
SCHEMBL16632612 0.74 CA12 (0.35) MCL1MAOBCA1CA2F2RL3
SCHEMBL6779123 0.72 MCL1 (0.51) MCL1AHRMAOACA1CA2
SCHEMBL16345431 0.68 MCL1 (0.43) MCL1
SCHEMBL31326155 0.64 AHR (0.42) AHRF2RL3
SCHEMBL23597817 0.64 AHR (0.46) MCL1AHRMAOAMAOBCA1

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 MCL1 2386/4885AHR 3451/4885MAOA 1754/4885

“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.