SCHEMBL16632534

SCHEMBL16632534

Oc1cccc(Br)c1C=C(Br)Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
PTK6 Q13882 1/20 0.39
TTR P02766 1/20 0.35
CA2 P00918 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CA1 P00915 3/20 0.35
EGFR P00533 2/20 0.35
LMNA P02545 2/20 0.35
FYN P06241 2/20 0.35
MMP9 P14780 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
RECQL P46063 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CDK2 P24941 2/20 0.35
CA6 P23280 2/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL29705961 0.81 MAOB (0.42) MAOBPTK6TTRCA2ALDH1A1
SCHEMBL28763215 0.81 MAOB (0.42) MAOBPTK6TTRCA2ALDH1A1
SCHEMBL31083124 0.77 KMT2A (0.41) MAOBALDH1A1LMNATDP1MEN1
SCHEMBL674874 0.76 MAOB (0.49) MAOBPTK6TTRCA2ALDH1A1
SCHEMBL6560397 0.76 MAOB (0.44) MAOBPTK6TTRCA2ALDH1A1
SCHEMBL9569773 0.72 MAOB (0.46) MAOBPTK6TTRCA2ALDH1A1
SCHEMBL16632737 0.71 SELL (0.39) ALDH1A1LMNAHPGDRECQLKMT2A
SCHEMBL24440671 0.69 CA12 (0.50) MAOBPTK6CA2ALDH1A1CA1
SCHEMBL21224294 0.68 MAOB (0.58) MAOBPTK6TTRCA2ALDH1A1
SCHEMBL31071896 0.68 MAOB (0.58) MAOBPTK6TTRCA2ALDH1A1

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 MAOB 1251/4885PTK6 2085/4885TTR 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.