SCHEMBL13779366

SCHEMBL13779366

Nc1ccc2nc(-c3ccc(C(=O)O)cc3)[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.74
MEN1 O00255 6/20 0.74
RXFP1 Q9HBX9 2/20 0.74
CACNA1B Q00975 1/20 0.74
APBA1 Q02410 1/20 0.74
KDM4E B2RXH2 5/20 0.72
ALDH1A1 P00352 5/20 0.72
MAPT P10636 4/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
GAA P10253 4/20 0.72
GLA P06280 3/20 0.72
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
RECQL P46063 2/20 0.72
GFER P55789 2/20 0.72
MMP2 P08253 1/20 0.71
MMP9 P14780 1/20 0.71
MMP8 P22894 1/20 0.71
MMP13 P45452 1/20 0.71
HPGD P15428 4/20 0.68

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
SCHEMBL28384472 0.91 NR4A2 (0.75) KMT2AMEN1RXFP1CACNA1BAPBA1
SCHEMBL29576909 0.91 NR4A2 (0.75) KMT2AMEN1RXFP1CACNA1BAPBA1
SCHEMBL27528263 0.89 MEN1 (0.74) KMT2AMEN1RXFP1CACNA1BAPBA1
SCHEMBL1663947 0.89 KDM4E (0.63) KMT2AMEN1RXFP1CACNA1BAPBA1
SCHEMBL5219768 0.88 NR4A2 (0.83) KMT2AKDM4EALDH1A1MMP2MMP9
SCHEMBL20982511 0.88 MMP2 (0.78) KMT2AKDM4EALDH1A1MMP2MMP9
Terephthalamide SCHEMBL28143925 0.87 CHEK2 (0.75) KMT2AMEN1RXFP1CACNA1BAPBA1
SCHEMBL20982644 0.86 NR4A2 (0.86) KMT2AKDM4EALDH1A1MMP2MMP9
SCHEMBL2251258 0.86 MEN1 (1.00) KMT2AMEN1RXFP1CACNA1BAPBA1
SCHEMBL14030832 0.85 MMP2 (0.66) KMT2AKDM4EALDH1A1MMP2MMP9

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-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 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-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction PRKCH, AIP, PRKCE KMT2A 2487/4885MEN1 4118/4885RXFP1 771/4885

“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.