SCHEMBL7689725

SCHEMBL7689725

Oc1cccc2nc(COc3cccc(Cl)c3)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ROCK2 O75116 1/20 0.46
GRK2 P25098 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
TSHR P16473 1/20 0.45
DHFR P00374 1/20 0.44
DCPS Q96C86 1/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
PIM1 P11309 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
SCHEMBL7686234 0.91 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7687487 0.87 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7691470 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7686538 0.80 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7689730 0.80 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7684653 0.79 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7689249 0.75 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4066028 0.73 KDM4E (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL17710749 0.72 RAB9A (0.55) RAB9ANPC1ROCK2GRK2KDM4C
SCHEMBL23882594 0.72 ROCK2 (0.64) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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.