SCHEMBL16632454

SCHEMBL16632454

COc1cc(F)ccc1Oc1cccc2oc(C#N)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.41
MAOA P21397 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2A6 P11509 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL16632984 0.88 CYP2A6 (0.45) ARMAOAL3MBTL1CYP2A6CA12
SCHEMBL16632723 0.86 SLC6A4 (0.49) ARMAOACA1CA2MEN1
SCHEMBL16632621 0.85 AR (0.40) ARSCN8ASCN10ACNR2
SCHEMBL5584528 0.84 CYP2A6 (0.50) MAOACYP2A6CA12CA1CA2
SCHEMBL16632742 0.84 CYP2A6 (0.38) ARL3MBTL1CYP2A6
SCHEMBL16632479 0.75 CYP2A6 (0.45) ARMAOACYP2A6CA12CA1
SCHEMBL16632752 0.74 CNR2 (0.45) ARL3MBTL1CYP2A6CNR2
SCHEMBL16632568 0.73 AR (0.54) ARCA1CA2SCN8ASCN10A
SCHEMBL16632531 0.73 SLC6A4 (0.42) ARL3MBTL1CYP2A6CA1CA2
SCHEMBL16632349 0.73 L3MBTL1 (0.36) L3MBTL1MEN1KMT2A

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 3070/4885MAOA 1754/4885L3MBTL1 879/4885

“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.