SCHEMBL16632568

SCHEMBL16632568

COc1cc(F)ccc1Oc1cccc2cc(C#N)ccc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.54
SCN8A Q9UQD0 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
HPGDS O60760 1/20 0.45
SLC6A4 P31645 1/20 0.42
ACHE P22303 1/20 0.41
NR3C1 P04150 3/20 0.40
NR3C2 P08235 3/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
TRPA1 O75762 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PGR P06401 2/20 0.38

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
SCHEMBL16632675 0.90 AR (0.53) ARSCN8ASCN10AHPGDSSLC6A4
SCHEMBL16632624 0.88 AR (0.57) ARHPGDSSLC6A4ACHECA1
SCHEMBL16640617 0.87 AR (0.59) ARHPGDSSLC6A4ACHECA1
SCHEMBL16632331 0.86 SLC6A4 (0.58) ARHPGDSSLC6A4ACHECA1
SCHEMBL16632414 0.84 AR (0.53) ARSCN8ASCN10AHPGDSSLC6A4
SCHEMBL16632539 0.84 SLC6A4 (0.50) ARSCN8ASCN10ASLC6A4NR3C1
SCHEMBL6100395 0.83 HPGDS (0.56) ARHPGDSSLC6A4ACHECA1
SCHEMBL16632452 0.83 P4HB (0.39) ARSLC6A4CA1CA2
SCHEMBL16640622 0.81 AR (0.54) ARSCN8ASCN10ASLC6A4ACHE
SCHEMBL16632541 0.80 SLC6A4 (0.57) ARSCN8ASCN10ASLC6A4

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 3070/4885SCN8A 4760/4885SCN10A 4842/4885

“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.