SCHEMBL16273441

SCHEMBL16273441

COc1ccccc1N/N=C(C=O)\C(C)=N/Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ GAA P10253 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ MAPT P10636 7/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ MAOA P21397 3/20 0.47
▸ MAOB P27338 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ADORA3 P0DMS8 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
SCHEMBL16273447 0.79 EGFR (0.53) MEN1KMT2AGAALMNAALOX12
SCHEMBL22953101 0.78 CA9 (0.44) MEN1KMT2AGAALMNAALOX12
SCHEMBL22810959 0.77 MEN1 (0.43) MEN1KMT2AGAALMNAALOX12
SCHEMBL22811133 0.76 PTGS2 (0.45) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL12081776 0.75 MEN1 (0.74) MEN1KMT2AGAALMNAALOX12
SCHEMBL3335343 0.75 MEN1 (0.74) MEN1KMT2AGAALMNAALOX12
SCHEMBL3335339 0.75 MEN1 (0.74) MEN1KMT2AGAALMNAALOX12
SCHEMBL3406539 0.73 ALOX5 (0.81) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL29858889 0.73 ALOX5 (0.81) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL16273442 0.73 MEN1 (0.54) MEN1KMT2AGAALMNAALOX12

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-9303024-B2 Pyrazol-3-ones that activate pro-apoptotic BAX DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-04-05 — — US disclosed
US-20140357687-A1 Pyrazol-3-ones That Activate Pro-apoptotic BAX DANA FARBER CANCER INSTITUTE, INC. (US) 2014-12-04 — — 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-20140357687-A1 Pyrazol-3-ones That Activate Pro-apoptotic BAX BAX, BAD, CASP3 MEN1 4314/4885KMT2A 4718/4885GAA 1708/4885

“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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