SCHEMBL7686249

SCHEMBL7686249

Cc1cccc2[nH]c(COc3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CACNA1H O95180 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL8668275 0.82 RAB9A (0.61) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL7691472 0.81 GAA (0.53) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL7688877 0.81 RAB9A (0.67) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL7686245 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL7963333 0.78 RAB9A (0.48) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL7689804 0.76 RAB9A (0.63) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13908155 0.75 MGAM (0.48) ALDH1A1CACNA1HGAA
SCHEMBL10304907 0.72 BRD4 (0.53) LMNAPKMHSD17B10MAOBKMT2A
SCHEMBL10839142 0.72 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL7808651 0.70 RAB9A (0.43) NPC1RAB9ASMN1; 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 NPC1 1857/4885RAB9A 3072/4885SMN1; 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.

Send feedback