SCHEMBL7685871

SCHEMBL7685871

O=[N+]([O-])c1cccc2nc(COc3ccc(Cl)cc3)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 8/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TP53 P04637 3/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.41
LMNA P02545 6/20 0.41
PLCG2 P16885 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 4/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7685875 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7687487 0.79 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7689808 0.79 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL28199916 0.78 MAPT (0.45) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7691215 0.76 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL3947023 0.75 MAPT (0.45) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL27589479 0.75 GAA (0.56) NPC1SMN1; SMN2POLBTDP1TSHR
SCHEMBL15228497 0.75 MAPT (0.45) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7690186 0.74 RAB9A (0.60) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7690282 0.74 RAB9A (0.56) RAB9ANPC1SMN1; SMN2POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists BRITTON THOMAS CHARLES (US) 2002-01-17 US disclosed
US-6255494-B1 SUBSTITUTED BENZIMIDAZOLES USEFUL IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH EXCESS OF NEUROPEPTIDE Y (AROUND ARTERIES IN HEART, RESPIRATORY TRACT, GASTROINTESTINAL TRACT AND GENITOURINARY TRACT); ETIOLOGY OF PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY 2001-07-03 US disclosed
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 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 (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-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY5R RAB9A 3072/4885NPC1 1857/4885SMN1; SMN2 2698/4885

“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.