SCHEMBL3102305

SCHEMBL3102305

CCc1nc2cc(CC(=O)O)ccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 1.00
HPSE Q9Y251 14/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 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
SCHEMBL7238051 0.89 GAA (0.80) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL5733947 0.86 GAA (0.75) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL3738502 0.85 GAA (0.74) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL6790729 0.84 GAA (0.72) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL11638476 0.83 GAA (0.71) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL10224642 0.82 GAA (0.69) GAAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL3807350 0.82 GAA (0.69) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL7472281 0.81 GAA (0.68) GAAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL506581 0.81 GAA (0.67) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL7231101 0.79 GAA (0.65) GAAHPSEKDM4EMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 US disclosed
EP-2212293-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-08-04 EP disclosed
WO-2009054983-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 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-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I GAA 2264/4885HPSE 3928/4885KDM4E 3538/4885

“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.