SCHEMBL4550751

SCHEMBL4550751

Cc1cc(C(=O)O)c2oc(C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
KMT2A Q03164 3/20 0.43
ESR1 P03372 1/20 0.43
MAPT P10636 1/20 0.43
MAPK10 P53779 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 3/20 0.41
GPR35 Q9HC97 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 0.39
NUDT1 P36639 1/20 0.39
CSNK2A1 P68400 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
MAOB P27338 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL7356459 0.83 ESR2 (0.42) ESR2KMT2AESR1MAPTMAPK10
SCHEMBL1340553 0.76 MAPT (0.63) KMT2AESR1MAPTMAPK10ALDH1A1
SCHEMBL25083018 0.76 KCNA3 (0.43) ESR2KMT2AESR1MAPTMAPK10
SCHEMBL27360214 0.74 NUDT1 (0.43) MAPTALDH1A1KDM4EELANENUDT1
SCHEMBL9489584 0.71 POLB (0.45) KMT2AMAPTALDH1A1KDM4EGPR35
SCHEMBL1144835 0.71 MAPT (0.42) KMT2AESR1MAPTMAPK10ALDH1A1
SCHEMBL24758507 0.71 NUDT1 (0.43) KMT2AMAPTALDH1A1KDM4EELANE
SCHEMBL21437543 0.70 TTR (0.43) ESR2KMT2AESR1MAPTMAPK10
SCHEMBL24949795 0.69 KDM4E (0.38) KMT2AESR1MAPTMAPK10ALDH1A1
SCHEMBL30843994 0.69 KDM4E (0.38) KMT2AESR1MAPTMAPK10ALDH1A1

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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A ESR2 2942/4885KMT2A 1036/4885ESR1 4465/4885

“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.