SCHEMBL7083412

SCHEMBL7083412

N#C/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C1\CCCCN1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HPGD P15428 1/20 0.67
MAPK1 P28482 3/20 0.62
TSHR P16473 2/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
CES1 P23141 2/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CES2 O00748 1/20 0.42
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL6172940 1.00 NPC1 (0.67) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL6169261 0.82 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL7755190 0.82 HPGD (0.56) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL6168784 0.79 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL6172072 0.78 MAPT (0.74) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL7086417 0.78 MAPT (0.74) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL7755244 0.77 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL6172393 0.74 MEN1 (0.69) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL6171431 0.73 NPC1 (0.60) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL7082774 0.72 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130125-A1 Phenyl-substituted cyclic enaminones FISCHER REINER (DE) 2003-07-10 US disclosed
US-6455472-B1 HERBICIDES, ACARICIDES, NEMATICIDES AND INSECTICIDES FOR CROPS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 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-20030130125-A1 Phenyl-substituted cyclic enaminones DDT, CYP19A1, KCNA1 NPC1 3964/4885RAB9A 2543/4885SMN1; SMN2 3366/4885

“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.