SCHEMBL3312233

SCHEMBL3312233

O=C(NC(=O)c1cc(F)c(F)cc1F)NC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.52
EPHX1 P07099 5/20 0.49
PPIA P62937 2/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.47
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
EPHX2 P34913 3/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL13332426 0.84 NPC1 (0.60) NPC1RAB9ASMN1; SMN2EPHX1PPIA
SCHEMBL13332431 0.82 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPK1PPIA
SCHEMBL13332420 0.78 PPIA (0.56) NPC1RAB9ASMN1; SMN2MAPK1EPHX1
SCHEMBL4514409 0.75 POLB (0.50) NPC1RAB9ASMN1; SMN2MAPK1EPHX1
SCHEMBL4513190 0.74 HPGD (0.51) NPC1RAB9ASMN1; SMN2MAPK1EPHX1
SCHEMBL6646405 0.73 HPGD (0.43) NPC1RAB9ASMN1; SMN2MAPK1EPHX1
SCHEMBL13332415 0.72 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL3455703 0.72 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4516474 0.72 MAPK1 (0.49) MAPK1HPGDPOLBKDM4EALDH1A1
SCHEMBL6643946 0.72 HPGD (0.43) NPC1RAB9ASMN1; SMN2MAPK1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 NPC1 3476/4885RAB9A 4041/4885SMN1; SMN2 4844/4885

“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.