SCHEMBL7687529

SCHEMBL7687529

COc1ccc2nc(COc3ccc(Cl)cc3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
NPC1 O15118 5/20 0.67
TDP1 Q9NUW8 2/20 0.67
POLB P06746 1/20 0.67
BRS3 P32247 2/20 0.61
ALDH1A1 P00352 4/20 0.59
TP53 P04637 2/20 0.59
CYP2E1 P05181 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C8 P10632 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2B6 P20813 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
MEN1 O00255 3/20 0.55
LMNA P02545 3/20 0.55

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
SCHEMBL7687534 0.89 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL7690590 0.89 RAB9A (0.84) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL7692675 0.86 RAB9A (0.67) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL7682622 0.83 RAB9A (0.63) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL7692487 0.82 RAB9A (0.64) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL23882603 0.82 ROCK2 (0.57) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL7682812 0.82 RAB9A (0.58) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL7684455 0.82 RAB9A (0.68) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL2245506 0.80 RAB9A (1.00) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL7690597 0.80 RAB9A (0.74) RAB9ASMN1; SMN2NPC1TDP1POLB

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 3072/4885SMN1; SMN2 2698/4885NPC1 1857/4885

“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.