SCHEMBL7688877

SCHEMBL7688877

FC(F)(F)c1cccc(OCc2nc3ccccc3[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.67
▸ NPC1 O15118 9/20 0.67
▸ SMN1; SMN2 Q16637 7/20 0.67
▸ TP53 P04637 3/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ TSHR P16473 1/20 0.66
▸ KMT2A Q03164 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ POLB P06746 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL16938652 0.85 NPC1 (0.71) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7686249 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7686245 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL2241896 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL15063375 0.80 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7686538 0.80 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7808651 0.79 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7808657 0.79 MAOB (0.45) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4531396 0.78 TRPV1 (0.55) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL5007637 0.78 NPC1 (1.00) 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.

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