SCHEMBL13229232

SCHEMBL13229232

O=C(c1nc2c(C(F)(F)F)cccn2c1Cl)N1CC=C(c2nccs2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.42
SCD O00767 2/20 0.39
RBP4 P02753 1/20 0.38
RORC P51449 1/20 0.35
TRPV1 Q8NER1 2/20 0.32
USP7 Q93009 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HSD11B1 P28845 1/20 0.31
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL3787325 0.85 P2RX7 (0.37) P2RX7SCDRBP4RORCTRPV1
SCHEMBL3793484 0.84 P2RX7 (0.35) P2RX7SCDRBP4RORCABL1
SCHEMBL3790298 0.82 P2RX7 (0.37) P2RX7SCDRBP4RORC
SCHEMBL3684563 0.80 P2RX7 (0.34) P2RX7SCDRORC
SCHEMBL3786771 0.80 P2RX7 (0.33) P2RX7SCDRORC
SCHEMBL3790304 0.79 P2RX7 (0.33) P2RX7RORC
SCHEMBL13229244 0.79 ULK1 (0.35) P2RX7SCDRORCTRPV1USP2
SCHEMBL3691038 0.79 PTK6 (0.35) P2RX7RORC
SCHEMBL3789564 0.78 ULK1 (0.33) P2RX7
SCHEMBL3786774 0.78 P2RX7 (0.32) P2RX7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 P2RX7 589/4885SCD 1226/4885RBP4 1868/4885

“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.