SCHEMBL21477022

SCHEMBL21477022

CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 1.00
▸ KMT2A Q03164 10/20 1.00
▸ MAPT P10636 8/20 1.00
▸ TDP1 Q9NUW8 6/20 1.00
▸ GAA P10253 4/20 1.00
▸ RECQL P46063 3/20 1.00
▸ BLM P54132 2/20 1.00
▸ KDM4E B2RXH2 3/20 0.77
▸ POLB P06746 2/20 0.77
▸ HTT P42858 2/20 0.77
▸ ALOX12 P18054 1/20 0.77
▸ L3MBTL1 Q9Y468 1/20 0.77
▸ THRB P10828 2/20 0.74
▸ HSP90AA1 P07900 1/20 0.74
▸ APP P05067 1/20 0.56
▸ BCL2 P10415 4/20 0.55
▸ BAX Q07812 4/20 0.55
▸ BCL2L1 Q07817 3/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ CYP1A2 P05177 2/20 0.54

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
SCHEMBL21477024 0.85 MEN1 (1.00) MEN1KMT2AMAPTTDP1GAA
SCHEMBL29457691 0.77 BCL2 (0.70) MEN1KMT2AMAPTTDP1GAA
SCHEMBL22692440 0.74 MAPT (0.59) MEN1KMT2AMAPTTDP1GAA
SCHEMBL18069566 0.72 BCL2 (0.63) MEN1KMT2AMAPTTDP1GAA
SCHEMBL28911461 0.71 BCL2 (1.00) BCL2BAXBCL2L1
Edaravone SCHEMBL4704 0.71 KMT2A (1.00) MEN1KMT2AMAPTTDP1GAA
Edaravone SCHEMBL27972444 0.71 KMT2A (1.00) MEN1KMT2AMAPTTDP1GAA
SCHEMBL22692432 0.70 MEN1 (0.55) MEN1KMT2AMAPTTDP1GAA
SCHEMBL16273413 0.70 MEN1 (0.55) MEN1KMT2AMAPTTDP1GAA
Edaravone SCHEMBL29109888 0.70 KMT2A (0.90) MEN1KMT2AMAPTTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315730-A1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX DANA-FARBER CANCER INSTITUTE, INC. 2019-10-17 — — 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-20190315730-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.

Send feedback