SCHEMBL3611030

SCHEMBL3611030

CNC(C)C(=O)Nc1ccc(Br)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.35
CNR1 P21554 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.34
NTRK1 P04629 4/20 0.34
BIRC2 Q13490 2/20 0.33
FPR1 P21462 1/20 0.33
XIAP P98170 2/20 0.32
P2RX3 P56373 1/20 0.32
THRB P10828 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ROCK2 O75116 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
SCHEMBL1323051 1.00 CNR2 (0.35) CNR2CNR1HTTMAPTSMN1; SMN2
SCHEMBL12122067 0.89 ELANE (0.35) NTRK1BIRC2
SCHEMBL12124006 0.89 BIRC2 (0.35) CNR2CNR1HTTMAPTSMN1; SMN2
SCHEMBL380276 0.89 ELANE (0.35) NTRK1BIRC2
SCHEMBL380277 0.89 ELANE (0.35) NTRK1BIRC2
SCHEMBL12122006 0.88 HTT (0.38) CNR2CNR1HTTMAPTSMN1; SMN2
SCHEMBL1323603 0.88 HTT (0.38) CNR2CNR1HTTMAPTSMN1; SMN2
SCHEMBL12124290 0.87 CNR1 (0.37) CNR2CNR1NTRK1BIRC2XIAP
SCHEMBL1324375 0.86 ELANE (0.37) NTRK1ROCK2
SCHEMBL381915 0.86 ELANE (0.40) BIRC2XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US claimed
CN-101595093-A Organic compound NOVARTIS AG (CH) 2009-12-02 CN claimed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 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-20100048571-A1 Organic Compounds XIAP, BAX, MCL1 CNR2 4877/4885CNR1 4851/4885HTT 3684/4885

“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.