SCHEMBL17316698

SCHEMBL17316698

Cc1cc2cc(CC(=O)O)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
MAPT P10636 9/20 0.61
KDM4E B2RXH2 3/20 0.61
PPARG P37231 1/20 0.61
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
GAA P10253 1/20 0.56
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.51
PABPC1 P11940 1/20 0.51
HTT P42858 3/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL16720727 0.81 MAPT (0.81) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL28671523 0.80 PPARG (0.61) ALDH1A1MAPTKDM4EPPARGMEN1
SCHEMBL7246369 0.80 PPARG (0.61) ALDH1A1MAPTKDM4EPPARGMEN1
SCHEMBL12452461 0.79 MAPT (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL18966724 0.78 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7974481 0.77 PPARG (0.55) ALDH1A1MAPTKDM4EPPARGMEN1
SCHEMBL6071011 0.77 MAPT (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5272318 0.77 AXL (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8999779 0.77 MAPT (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL16412962 0.77 PPARG (0.57) ALDH1A1MAPTKDM4EPPARGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 EP disclosed
US-10246426-B2 Triazole compounds as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-02 US disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
EP-3194374-B1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-08-01 EP disclosed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 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 (4 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885MAPT 1301/4885KDM4E 3649/4885
US-10246426-B2 Triazole compounds as T-type calcium channel blockers CACNA1I, CACNA1E, CACNA1G ALDH1A1 3606/4885MAPT 1351/4885KDM4E 3001/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885MAPT 1301/4885KDM4E 3649/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885MAPT 1301/4885KDM4E 3649/4885

“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.