SCHEMBL3673624

SCHEMBL3673624

Cc1c(C(=O)O)ccc(=O)n1-c1ccccc1.Cn1cc(C(=O)O)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
NOTUM Q6P988 5/20 0.48
CREBBP Q92793 1/20 0.44
MYC P01106 3/20 0.42
NR4A1 P22736 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 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
SCHEMBL4898108 0.86 NOTUM (0.62) ALDH1A1NOTUMMYCNR4A1
SCHEMBL480137 0.78 CREBBP (0.58) ALDH1A1CREBBPMAPTMEN1KMT2A
SCHEMBL11454219 0.75 NOTUM (0.63) ALDH1A1NOTUMMYCNR4A1MAPT
SCHEMBL11456565 0.73 NOTUM (0.65) ALDH1A1NOTUMMYCNR4A1MAPT
SCHEMBL11456949 0.72 MEN1 (0.52) ALDH1A1NOTUMMYCMAPTMEN1
SCHEMBL3673691 0.69 CREBBP (0.50) ALDH1A1CREBBPMAPTMEN1KMT2A
SCHEMBL11458707 0.69 ALDH1A1 (0.48) ALDH1A1NOTUMMAPTKMT2APOLB
SCHEMBL11455602 0.68 NOTUM (0.73) ALDH1A1NOTUMMAPTMEN1KMT2A
SCHEMBL146048 0.67 KDM4E (0.56) ALDH1A1NOTUML3MBTL1MAPK1KDM4E
SCHEMBL11457533 0.67 NOTUM (0.69) ALDH1A1NOTUMMYCNR4A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383823-B2 Substituted N-aryl pyridinones AUSPEX PHARMACEUTICALS (US) 2013-02-26 US disclosed
EP-2170828-B1 SUBSTITUTED N-ARYL PYRIDINONES AS FIBROTIC INHIBITORS AUSPEX PHARMACEUTICALS INC (US) 2012-11-21 EP disclosed
EP-2170828-A1 SUBSTITUTED N-ARYL PYRIDINONES AS FIBROTIC INHIBITORS Auspex Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
US-20080319026-A1 SUBSTITUTED N-ARYL PYRIDINONES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008157786-A1 SUBSTITUTED N-ARYL PYRIDINONES AS FIBROTIC INHIBITORS AUSPEX PHARMACEUTICAL, INC. (US) 2008-12-24 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-20080319026-A1 SUBSTITUTED N-ARYL PYRIDINONES COL1A1, COL2A1, COLGALT1 ALDH1A1 293/4885NOTUM 4252/4885CREBBP 1065/4885

“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.