SCHEMBL17316696

SCHEMBL17316696

O=C(O)Cc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ NOS1 P29475 1/20 0.51
▸ CREBBP Q92793 1/20 0.50
▸ IL4I1 Q96RQ9 1/20 0.49
▸ PPARG P37231 1/20 0.46
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 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
SCHEMBL9131214 0.87 NOS1 (0.51) KDM4EALDH1A1KMT2AMAPTHPGD
SCHEMBL5187782 0.86 NOS1 (0.54) KDM4EALDH1A1KMT2ANOS1CREBBP
SCHEMBL6331311 0.84 KDM4E (0.51) KDM4EALDH1A1KMT2ANOS1CREBBP
SCHEMBL7765514 0.81 NOS1 (0.56) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL19304158 0.81 KDM4E (0.66) KDM4EALDH1A1KMT2AMAPTHPGD
SCHEMBL17316719 0.79 CREBBP (0.49) KDM4EALDH1A1KMT2ANOS1CREBBP
SCHEMBL2722206 0.78 KDM4E (0.53) KDM4EALDH1A1KMT2AMAPTHPGD
SCHEMBL9004440 0.78 NOS1 (0.61) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL7766405 0.78 KDM4E (0.58) KDM4EALDH1A1KMT2AMEN1NOS1
SCHEMBL5539434 0.78 NOS1 (0.56) KDM4EALDH1A1KMT2AMEN1NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 — — CN disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 — — US 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 (3 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 KDM4E 3649/4885ALDH1A1 3435/4885KMT2A 4227/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G KDM4E 3649/4885ALDH1A1 3435/4885KMT2A 4227/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G KDM4E 3649/4885ALDH1A1 3435/4885KMT2A 4227/4885

“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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