SCHEMBL6629720

SCHEMBL6629720

CCc1cc(CCl)cc(CC)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.40
NOS2 P35228 2/20 0.40
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 2/20 0.35
KDM5B Q9UGL1 1/20 0.35
GAA P10253 1/20 0.35
FABP4 P15090 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ESR1 P03372 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
DHODH Q02127 1/20 0.31
NOS1 P29475 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP1A2 P05177 1/20 0.31
CXCR4 P61073 1/20 0.31
PDE4B Q07343 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
SCHEMBL16346201 0.85 NOS2 (0.57) NOS3NOS2NOS1
SCHEMBL3294816 0.81 SMN1; SMN2 (0.40) NPC1RAB9APOLBGAASMN1; SMN2
SCHEMBL6465582 0.81 NOS3 (0.44) NOS3NOS2NPC1RAB9APOLB
SCHEMBL5898465 0.80 NOS3 (0.40) NOS3NOS2POLBKDM5BESR1
SCHEMBL20072601 0.76 ACHE (0.42) NOS3NOS2POLBKDM5BESR1
SCHEMBL16346209 0.76 RECQL (0.47) NOS3NOS2NPC1RAB9APOLB
SCHEMBL21436419 0.75 NOS3 (0.45) NOS3NOS2POLBKDM5BESR1
SCHEMBL14511360 0.75 NOS3 (0.40) NOS3NOS2NPC1RAB9AKDM5B
SCHEMBL5898463 0.75 NOS3 (0.40) NOS3NOS2POLBKDM5BFABP4
SCHEMBL16775566 0.75 CYP1A2 (0.47) NOS3NOS2POLBKDM4ENOS1

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
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 EP disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-20030134827-A1 Novel lactam metalloprotease inhibitors DUAN JINGWU (US) 2003-07-17 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 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-20030134827-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 NOS3 1368/4885NOS2 1524/4885NPC1 1913/4885

“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.