SCHEMBL16632749

SCHEMBL16632749

Cc1cc(Oc2ccc(F)cc2O)c2cc(C#N)oc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 2/20 0.35
AR P10275 2/20 0.35
PGR P06401 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
BRD4 O60885 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
APEX1 P27695 1/20 0.31
MPI P34949 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL16632622 0.86 CNR2 (0.45) MAPTCNR2ARKDM4EALDH1A1
SCHEMBL16632621 0.86 AR (0.40) CNR2ARPGR
SCHEMBL16632742 0.84 CYP2A6 (0.38) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16632752 0.78 CNR2 (0.45) L3MBTL1CNR2ARKDM4EALDH1A1
SCHEMBL806615 0.73 CNR2 (0.45) MAPTCYP3A4L3MBTL1CNR2PGR
SCHEMBL16634455 0.72 L3MBTL1 (0.35) MAPTL3MBTL1PGRBRD4ALDH1A1
SCHEMBL16632567 0.72 CYP2A6 (0.38) MAPTNPSR1CNR2ARPGR
SCHEMBL16632556 0.71 TTR (0.46) MAPTPGRSLC6A2SLC6A3KMT2A
SCHEMBL16632454 0.71 AR (0.41) L3MBTL1CNR2ARKMT2A
SCHEMBL16632479 0.70 CYP2A6 (0.45) MAPTCYP3A4CYP2C9CYP2C19CNR2

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 MAPT 1046/4885CYP1A2 567/4885CYP3A4 614/4885

“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.