SCHEMBL5142374

SCHEMBL5142374

O=C(CC(=O)Nc1cccc(O)c1)Nc1cccc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
CYP1A2 P05177 1/20 0.66
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
NLRP3 Q96P20 11/20 0.63
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 1/20 0.56
HDAC4 P56524 1/20 0.55

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
SCHEMBL18530334 0.89 KMT2A (0.58) ALDH1A1CYP1A2MEN1KMT2ANLRP3
SCHEMBL10580750 0.89 ALDH1A1 (0.68) ALDH1A1CYP1A2MEN1KMT2ANLRP3
SCHEMBL31570060 0.89 ALDH1A1 (0.68) ALDH1A1CYP1A2MEN1KMT2ANLRP3
SCHEMBL9799670 0.88 ALDH1A1 (0.61) ALDH1A1CYP1A2MEN1KMT2ANLRP3
SCHEMBL11403762 0.86 NLRP3 (0.62) ALDH1A1CYP1A2MEN1KMT2ANLRP3
SCHEMBL4602459 0.86 NLRP3 (0.62) ALDH1A1CYP1A2MEN1KMT2ANLRP3
SCHEMBL127182 0.86 CA1 (0.61) ALDH1A1CYP1A2MEN1KMT2ANLRP3
SCHEMBL6360996 0.86 RAB9A (0.69) ALDH1A1CYP1A2MEN1KMT2ANLRP3
SCHEMBL441932 0.86 HDAC4 (0.67) ALDH1A1CYP1A2MEN1KMT2ANLRP3
SCHEMBL14202768 0.86 ALDH1A1 (0.59) ALDH1A1CYP1A2MEN1KMT2ANLRP3

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-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2007-02-22 US disclosed
WO-2005037196-A2 SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2005-04-28 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 (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-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CASP14, CASP2, CASP3 ALDH1A1 952/4885CYP1A2 475/4885MEN1 2893/4885

“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.