SCHEMBL16273442

SCHEMBL16273442

COc1ccc(N/N=C(C=O)\C(=N/Nc2nc(-c3ccccc3)cs2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.54
▸ KMT2A Q03164 7/20 0.54
▸ MAPT P10636 7/20 0.54
▸ GAA P10253 6/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALOX5 P09917 2/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ NFKB2 Q00653 2/20 0.54
▸ RELA Q04206 2/20 0.54
▸ RECQL P46063 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ CSNK2A1 P68400 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL16273445 0.83 MAPT (0.49) MEN1KMT2AMAPTGAARAB9A
SCHEMBL3337115 0.74 GAA (0.64) MEN1KMT2AMAPTGAARAB9A
SCHEMBL12081693 0.74 GAA (0.64) MEN1KMT2AMAPTGAARAB9A
SCHEMBL3337119 0.74 GAA (0.64) MEN1KMT2AMAPTGAARAB9A
SCHEMBL16273441 0.73 MEN1 (0.54) MEN1KMT2AMAPTGAARAB9A
SCHEMBL2553862 0.72 MAPT (0.75) MEN1KMT2AMAPTGAARAB9A
SCHEMBL2553861 0.72 MAPT (0.75) MEN1KMT2AMAPTGAARAB9A
SCHEMBL1822120 0.72 MEN1 (1.00) MEN1KMT2AMAPTGAARAB9A
SCHEMBL12443462 0.71 MEN1 (0.72) MEN1KMT2AMAPTGAARAB9A
SCHEMBL12081987 0.71 MEN1 (0.59) MEN1KMT2AMAPTGAARAB9A

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 4718/4885MAPT 3506/4885

“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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