SCHEMBL7682630

SCHEMBL7682630

CC(C)(C)c1ccc2[nH]c(COc3ccc(Cl)cc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
SMN1; SMN2 Q16637 9/20 0.62
NPC1 O15118 8/20 0.62
POLB P06746 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
TP53 P04637 3/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7682622 0.90 RAB9A (0.63) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL7690597 0.85 RAB9A (0.74) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL7687534 0.83 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL7692681 0.83 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL22080088 0.81 RAB9A (0.67) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL7692487 0.79 RAB9A (0.64) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL3143233 0.79 NR4A2 (0.55) RAB9ASMN1; SMN2NPC1TP53TSHR
SCHEMBL7684455 0.79 RAB9A (0.68) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL2245506 0.77 RAB9A (1.00) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL7690590 0.77 RAB9A (0.84) RAB9ASMN1; SMN2NPC1POLBTDP1

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 2 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

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.