SCHEMBL1538062

SCHEMBL1538062

NC(=O)c1ccc(C(=O)NO)c2c(C(=O)NO)ccc(C(N)=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MPO P05164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC8 Q9BY41 4/20 0.39
DGAT1 O75907 1/20 0.39
MMP3 P08254 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HSD17B10 Q99714 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL1538065 1.00 GAA (0.43) GAAKDM4EMPOSMN1; SMN2HIF1A
SCHEMBL822479 0.83 CYP1A2 (0.53) GAAKDM4EDGAT1CYP1A2HSD17B10
SCHEMBL7949001 0.82 MMP3 (0.55) GAAKDM4EMPOSMN1; SMN2HIF1A
SCHEMBL30578752 0.82 MMP3 (0.55) GAAKDM4EMPOSMN1; SMN2HIF1A
SCHEMBL29921916 0.82 ALDH1A1 (0.48) GAAKDM4EMPOHIF1ACYP1A2
SCHEMBL1025413 0.79 CYP1A2 (0.67) GAAKDM4EMPOSMN1; SMN2HIF1A
SCHEMBL7864396 0.79 CYP1A2 (0.67) GAAKDM4EMPOSMN1; SMN2HIF1A
SCHEMBL29872360 0.77 KDM4E (0.59) GAAKDM4EMPOSMN1; SMN2HIF1A
SCHEMBL1520940 0.77 KDM4E (0.59) GAAKDM4EMPOSMN1; SMN2HIF1A
SCHEMBL45138 0.75 PLAU (0.44) GAAKDM4EMPOSMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242921-B2 Process for producing aromatic carboxylic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2016-01-26 US disclosed
US-20110071314-A1 PROCESS FOR PRODUCING AROMATIC POLYCARBOXYLIC ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-03-24 US disclosed
US-20110071313-A1 PROCESS FOR PRODUCING AROMATIC CARBOXYLIC ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-03-24 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 (2 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-20110071313-A1 PROCESS FOR PRODUCING AROMATIC CARBOXYLIC ACID HAO2, AOC2, KMO GAA 223/4885KDM4E 1267/4885MPO 124/4885
US-20110071314-A1 PROCESS FOR PRODUCING AROMATIC POLYCARBOXYLIC ACID DDC, SCO2, OAT GAA 1789/4885KDM4E 1057/4885MPO 341/4885

“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.