SCHEMBL4964520

SCHEMBL4964520

NC(N)C(=O)NC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
EPHX2 P34913 1/20 0.52
MMP2 P08253 4/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
MMP1 P03956 2/20 0.45
ATM Q13315 1/20 0.44
MMP8 P22894 1/20 0.43
MMP3 P08254 1/20 0.43
MAPK1 P28482 1/20 0.43
DUSP3 P51452 1/20 0.43

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
SCHEMBL15679953 0.82 ATM (0.50) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL879436 0.82 EPHX1 (0.54) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL268852 0.82 ATM (0.50) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19820046 0.82 EPHX1 (0.48) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL24213834 0.80 ATM (0.53) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL22679468 0.80 EPHX1 (0.52) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL22546666 0.80 ATM (0.53) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL24213833 0.80 ATM (0.53) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL22546809 0.80 ATM (0.53) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL22546765 0.80 ATM (0.53) EPHX1SMN1; SMN2NPC1RAB9AMAPT

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-7470815-B1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed
US-20050159363-A1 Selective neuronal nitric oxide synthase inhibitors SILVERMAN RICHARD B (US) 2005-07-21 US disclosed
US-6803486-B2 PEPTIDOMIMETIC; N-AMINOBUTYL-N'-NITROGUANIDINE DERIVATIVES NORTHWESTERN UNIVERSITY 2004-10-12 US disclosed
US-20030119751-A1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY 2003-06-26 US disclosed
WO-2003000198-A2 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2003-01-03 WO 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 (2 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-20050159363-A1 Selective neuronal nitric oxide synthase inhibitors NOS1, NOS3, NOS2 EPHX1 849/4885SMN1; SMN2 319/4885NPC1 2015/4885
US-20030119751-A1 Selective neuronal nitric oxide synthase inhibitors NOS1, NOS3, NOS2 EPHX1 849/4885SMN1; SMN2 319/4885NPC1 2015/4885

“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.