SCHEMBL16632380

SCHEMBL16632380

N#Cc1ccc2c(Oc3ccccc3O)cc(F)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
GPR6 P46095 1/20 0.35
ACLY P53396 1/20 0.34
NCEH1 Q6PIU2 2/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL16632440 0.89 P4HB (0.37) ARNCEH1
SCHEMBL16632596 0.85 AR (0.43) ARCA1CA2NCEH1CYP11B1
SCHEMBL16632510 0.85 CA1 (0.46) ARCA1CA2NCEH1
SCHEMBL16632414 0.84 AR (0.53) AR
SCHEMBL16632713 0.83 TTR (0.46) ARNCEH1
SCHEMBL16632452 0.80 P4HB (0.39) ARCA1CA2NCEH1
SCHEMBL16632358 0.80 NCEH1 (0.38) ARNCEH1
SCHEMBL16632675 0.78 AR (0.53) AR
SCHEMBL16640622 0.73 AR (0.54) AR
SCHEMBL16632982 0.72 TTR (0.48) ARNCEH1

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 AR 3070/4885CA1 4637/4885CA2 2940/4885

“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.