SCHEMBL17820066

SCHEMBL17820066

CC(=O)N(C)c1cncc(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
KDM4E B2RXH2 6/20 0.71
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
HCAR2 Q8TDS4 6/20 0.52
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47
DDO Q99489 1/20 0.47
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
RAF1 P04049 1/20 0.38
APP P05067 1/20 0.36
GAA P10253 1/20 0.36
HCAR3 P49019 1/20 0.36
HPGD P15428 1/20 0.35
MGAM O43451 1/20 0.35

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
SCHEMBL30811844 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AMEN1HCAR2
SCHEMBL11371189 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL3511819 0.76 KDM4E (0.53) ALDH1A1KDM4EKMT2AMEN1HCAR2
SCHEMBL10781465 0.76 KDM4E (0.56) ALDH1A1KDM4EKMT2AMEN1HCAR2
SCHEMBL3944146 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EKMT2AMEN1HCAR2
SCHEMBL23501716 0.75 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AMEN1HCAR2
SCHEMBL29934024 0.75 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AMEN1HCAR2
Acetic Acid SCHEMBL28240357 0.74 HCAR2 (0.65) ALDH1A1KDM4EKMT2AMEN1HCAR2
SCHEMBL51830 0.73 HCAR2 (0.70) ALDH1A1KDM4EKMT2AMEN1HCAR2
SCHEMBL9229295 0.73 CA12 (0.47) ALDH1A1KDM4EKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 ALDH1A1 2519/4885KDM4E 2666/4885KMT2A 1128/4885

“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.