SCHEMBL16632414

SCHEMBL16632414

COc1ccccc1Oc1cc(F)cc2cc(C#N)ccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.53
HPGDS O60760 1/20 0.41
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
SLC6A4 P31645 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACHE P22303 1/20 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 0.92 AR (0.53) ARHPGDSSCN8ASCN10ASLC6A4
SCHEMBL16640622 0.86 AR (0.54) ARSCN8ASCN10ASLC22A12SLC6A4
SCHEMBL16632419 0.85 AR (0.52) ARHPGDSSLC6A4SMN1; SMN2KDM4E
SCHEMBL16632541 0.85 SLC6A4 (0.57) ARSCN8ASCN10ASLC22A12SLC6A4
SCHEMBL16632624 0.85 AR (0.57) ARHPGDSSLC6A4SMN1; SMN2KDM4E
SCHEMBL16632568 0.84 AR (0.54) ARHPGDSSCN8ASCN10ASLC6A4
SCHEMBL16632380 0.84 AR (0.40) AR
SCHEMBL16632539 0.84 SLC6A4 (0.50) ARSCN8ASCN10ASLC22A12SLC6A4
SCHEMBL16632440 0.78 P4HB (0.37) ARSCN8ASCN10A
SCHEMBL6100395 0.76 HPGDS (0.56) ARHPGDSSLC6A4KDM4EHSD17B10

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 3070/4885HPGDS 998/4885SCN8A 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.