SCHEMBL4526290

SCHEMBL4526290

COC(=O)[C@@H](C)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM1A O60341 1/20 0.49
MEN1 O00255 1/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4681333 1.00 KMT2A (0.52) KMT2AL3MBTL1TDP1MAPTMAPK1
SCHEMBL158072 1.00 KMT2A (0.52) KMT2AL3MBTL1TDP1MAPTMAPK1
Hydrochloric Acid SCHEMBL4859605 0.98 KMT2A (0.50) KMT2AL3MBTL1TDP1MAPTMAPK1
Hydrochloric Acid SCHEMBL27739077 0.98 KMT2A (0.50) KMT2AL3MBTL1TDP1MAPTMAPK1
SCHEMBL5007478 0.93 KMT2A (0.46) KMT2AL3MBTL1TDP1MAPTMAPK1
Glycine SCHEMBL9745057 0.90 MAPT (0.47) KMT2AL3MBTL1TDP1MAPTMAPK1
SCHEMBL7312090 0.89 TAAR1 (0.50) KMT2AL3MBTL1MAPTMAPK1KDM1A
SCHEMBL29033348 0.88 TDP1 (0.50) KMT2AL3MBTL1TDP1MAPTMAPK1
Hydrochloric Acid SCHEMBL7318933 0.88 TAAR1 (0.49) KMT2AL3MBTL1MAPTMAPK1KDM1A
SCHEMBL11211654 0.85 TDP1 (0.47) KMT2AL3MBTL1TDP1MAPTMAPK1

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA KMT2A 735/4885L3MBTL1 2646/4885TDP1 932/4885

“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.