SCHEMBL10284792

SCHEMBL10284792

Cc1c(C(Nc2ccc(C(=O)NCCC=O)cc2)C2CCCCC2)oc2ccc(C#N)cc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
NAMPT P43490 12/20 0.37
GCG P01275 1/20 0.34
JAK2 O60674 1/20 0.34
F2RL1 P55085 2/20 0.33
F2RL3 Q96RI0 1/20 0.33

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
SCHEMBL13554484 0.91 NAMPT (0.43) NPC1RAB9ANAMPTGCG
SCHEMBL3399589 0.90 GCG (0.43) NPC1RAB9ANAMPTGCG
SCHEMBL719151 0.87 MEN1 (0.45) NPC1RAB9ANAMPTGCG
SCHEMBL718372 0.85 RCE1 (0.39) NPC1RAB9AF2RL1F2RL3
SCHEMBL3402253 0.80 TEAD4 (0.35) NPC1RAB9AF2RL1F2RL3
SCHEMBL3401435 0.79 GCG (0.45) NPC1RAB9AGCG
SCHEMBL720285 0.78 GCG (0.48) GCG
SCHEMBL721199 0.78 NPC1 (0.48) NPC1RAB9AGCG
SCHEMBL719119 0.77 KMT2A (0.33)
SCHEMBL721727 0.77 NPC1 (0.47) NPC1RAB9AGCG

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-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP NPC1 902/4885RAB9A 2454/4885NAMPT 69/4885

“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.