SCHEMBL16632596

SCHEMBL16632596

N#Cc1ccc2c(Oc3ccccc3O)cc(Cl)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.43
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
NCEH1 Q6PIU2 2/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR2 P41597 1/20 0.36
SLC6A4 P31645 2/20 0.35
STK39 Q9UEW8 1/20 0.35
RHEB Q15382 2/20 0.35
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL16632982 0.87 TTR (0.48) ARNCEH1KMT2ACCR2SLC6A4
SCHEMBL16632358 0.86 NCEH1 (0.38) ARNCEH1CCR2SLC6A4SLC6A3
SCHEMBL16632380 0.85 AR (0.40) ARCA1CA2NCEH1CYP11B1
SCHEMBL16632475 0.84 TTR (0.45) CA1CA2POLBGAAKMT2A
SCHEMBL16632419 0.84 AR (0.52) ARCA1CA2NCEH1SLC6A4
SCHEMBL16632510 0.83 CA1 (0.46) ARCA1CA2NCEH1POLB
SCHEMBL16632470 0.78 TTR (0.47) ARCA1CA2NCEH1KMT2A
SCHEMBL16632713 0.77 TTR (0.46) ARNCEH1KMT2ASLC6A4SLC6A3
SCHEMBL16632677 0.77 CA2 (0.42) ARCA1CA2NCEH1KMT2A
SCHEMBL16632458 0.76 SLC6A4 (0.60) ARNCEH1SLC6A4SLC6A3KCNH2

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.