SCHEMBL16632539

SCHEMBL16632539

COc1cc(F)ccc1Oc1cc(Cl)cc2cc(C#N)ccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.50
AR P10275 4/20 0.48
SCN8A Q9UQD0 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
SLC22A12 Q96S37 1/20 0.40
NR3C1 P04150 2/20 0.39
NR3C2 P08235 2/20 0.39
PGR P06401 1/20 0.39
ESRRA P11474 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
NCEH1 Q6PIU2 1/20 0.37
GPR6 P46095 1/20 0.37

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
SCHEMBL16632541 0.92 SLC6A4 (0.57) SLC6A4ARSCN8ASCN10ASLC22A12
SCHEMBL16632675 0.91 AR (0.53) SLC6A4ARSCN8ASCN10ANR3C1
SCHEMBL16632458 0.90 SLC6A4 (0.60) SLC6A4ARESRRASLC6A2SLC6A3
SCHEMBL16632419 0.88 AR (0.52) SLC6A4ARSLC6A2SLC6A3KCNH2
SCHEMBL16632358 0.84 NCEH1 (0.38) SLC6A4ARSLC22A12NR3C1NR3C2
SCHEMBL16632568 0.84 AR (0.54) SLC6A4ARSCN8ASCN10ANR3C1
SCHEMBL16632414 0.84 AR (0.53) SLC6A4ARSCN8ASCN10ASLC22A12
SCHEMBL16640622 0.83 AR (0.54) SLC6A4ARSCN8ASCN10ASLC22A12
SCHEMBL4175734 0.81 AR (0.59) SLC6A4ARSCN8ASCN10ASLC22A12
SCHEMBL16632331 0.81 SLC6A4 (0.58) SLC6A4ARSLC22A12ESRRASLC6A2

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 SLC6A4 4266/4885AR 3070/4885SCN8A 4760/4885

“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.