SCHEMBL29442368

SCHEMBL29442368

COc1nc(-c2cccs2)cc(-c2cccnc2)c1C#N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.70
▸ ALDH1A1 P00352 4/20 0.70
▸ HPGD P15428 4/20 0.70
▸ NPSR1 Q6W5P4 4/20 0.70
▸ TDP1 Q9NUW8 1/20 0.70
▸ GLA P06280 6/20 0.67
▸ GAA P10253 4/20 0.67
▸ MAPT P10636 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ SQOR Q9Y6N5 6/20 0.62
▸ HSD17B10 Q99714 2/20 0.59
▸ CASP1 P29466 1/20 0.59
▸ ADORA2A P29274 2/20 0.53
▸ ADORA1 P30542 2/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.53
▸ CYP2E1 P05181 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2A6 P11509 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49

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
SCHEMBL29442266 0.88 ALDH1A1 (0.80) KDM4EALDH1A1HPGDNPSR1TDP1
SCHEMBL22208219 0.83 SQOR (0.77) KDM4EALDH1A1NPSR1TDP1GLA
SCHEMBL29442295 0.83 SQOR (0.77) KDM4EALDH1A1NPSR1TDP1GLA
SCHEMBL22215730 0.82 ALDH1A1 (1.00) KDM4EALDH1A1HPGDNPSR1TDP1
SCHEMBL22215646 0.82 ALDH1A1 (0.82) KDM4EALDH1A1HPGDNPSR1TDP1
Hydrochloric Acid SCHEMBL29442491 0.82 SQOR (0.75) KDM4EALDH1A1NPSR1GLAGAA
SCHEMBL22215651 0.81 KDM4E (0.80) KDM4EALDH1A1HPGDNPSR1TDP1
SCHEMBL22215728 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDNPSR1TDP1
SCHEMBL29442321 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDNPSR1TDP1
SCHEMBL22215727 0.80 ALDH1A1 (0.77) KDM4EALDH1A1HPGDNPSR1TDP1

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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 — — US claimed
US-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 — — 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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure SQOR, QSOX1, KEAP1 KDM4E 316/4885ALDH1A1 411/4885HPGD 62/4885

“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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