SCHEMBL21157003

SCHEMBL21157003

C=NC(=O)c1cccc(OCC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
RECQL P46063 1/20 0.52
LMNA P02545 4/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50

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
SCHEMBL16409554 0.86 PLA2G4B (0.60) KMT2AMEN1MAPK1NR1H4KAT6A
SCHEMBL10575393 0.81 HPGD (0.57) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL20344652 0.81 ALDH1A1 (0.51) KMT2ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL7985855 0.81 KAT6A (0.52) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL5139133 0.81 HPGD (0.68) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL7984963 0.80 KAT6A (0.51) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL30129483 0.80 LMNA (0.61) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL29505934 0.80 KMT2A (0.75) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL29505938 0.80 KMT2A (0.75) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL307233 0.80 KMT2A (0.75) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT

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
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B KMT2A 1631/4885HPGD 164/4885SMN1; SMN2 3036/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B KMT2A 1631/4885HPGD 164/4885SMN1; SMN2 3036/4885

“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.