SCHEMBL7689730

SCHEMBL7689730

Oc1cccc2[nH]c(COc3cccc(Cl)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 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
COASY Q13057 1/20 0.46
TSHR P16473 1/20 0.45
PDE10A Q9Y233 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7686239 0.91 GRIN1 (0.49) RAB9AGRIN1GRIN2BPIM1PIM2
SCHEMBL7687482 0.87 RAB9A (0.63) RAB9AGRIN1GRIN2BPIM1PIM2
SCHEMBL7691472 0.85 GAA (0.53) RAB9APIM1PIM2NPC1SMN1; SMN2
SCHEMBL7686538 0.80 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7689725 0.80 RAB9A (0.51) RAB9APIM1PIM2NPC1SMN1; SMN2
SCHEMBL7684643 0.79 NPC1 (0.63) RAB9AGRIN1GRIN2BNPC1SMN1; SMN2
SCHEMBL7963333 0.75 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4066021 0.73 GRIN1 (0.54) RAB9AGRIN1GRIN2BALDH1A1COASY
SCHEMBL7689804 0.71 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL9533100 0.71 GRIN1 (0.55) RAB9AGRIN1GRIN2BTP53ALDH1A1

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 3072/4885GRIN1 804/4885GRIN2B 722/4885

“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.