SCHEMBL7682812

SCHEMBL7682812

COC(=O)c1ccc2nc(COc3ccc(Cl)cc3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 3/20 0.55
MAPK1 P28482 2/20 0.55
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51

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
SCHEMBL7682821 0.91 RAB9A (0.57) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL7687529 0.82 RAB9A (0.67) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL7690590 0.81 RAB9A (0.84) RAB9ASMN1; SMN2NPC1TDP1POLB
SCHEMBL24329791 0.80 ALDH1A1 (0.60) SMN1; SMN2MAPTMAPK1ALDH1A1CYP1A2
SCHEMBL30469417 0.80 ALDH1A1 (0.60) SMN1; SMN2MAPTMAPK1ALDH1A1CYP1A2
SCHEMBL7692675 0.79 RAB9A (0.67) RAB9ASMN1; SMN2NPC1TDP1POLB
Hydrochloric Acid SCHEMBL29737901 0.79 ALDH1A1 (0.59) SMN1; SMN2MAPTMAPK1ALDH1A1LMNA
SCHEMBL14347066 0.79 ALDH1A1 (0.61) SMN1; SMN2MAPTMAPK1ALDH1A1LMNA
SCHEMBL13931450 0.79 NPSR1 (0.68) SMN1; SMN2TDP1MAPTMAPK1ALDH1A1
SCHEMBL8288258 0.78 ALDH1A1 (0.60) SMN1; SMN2TDP1MAPTMAPK1ALDH1A1

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.