SCHEMBL18613612

SCHEMBL18613612

CCCCOC(=O)C(CC(=O)c1ccc(Cl)cc1N)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 0.37
MMEL1 Q495T6 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
FOLH1 Q04609 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 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
SCHEMBL18613737 0.87 ALDH1A1 (0.51) ABL1ALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL18613664 0.83 ABL1 (0.45) ABL1ALDH1A1TDP1L3MBTL1HSD17B10
SCHEMBL16093814 0.81 ABL1 (0.48) ABL1ALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL18613974 0.81 ALDH1A1 (0.51) ABL1ALDH1A1KDM4EGAAMAPT
SCHEMBL27371781 0.80 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1HSD17B10KDM4E
SCHEMBL18613716 0.79 ALDH1A1 (0.44) ABL1ALDH1A1TDP1L3MBTL1HSD17B10
SCHEMBL18613862 0.79 ALDH1A1 (0.44) ABL1ALDH1A1TDP1L3MBTL1HSD17B10
SCHEMBL17483634 0.76 ABL1 (0.50) ABL1ALDH1A1KDM4EGAAMAPT
SCHEMBL18613936 0.76 ABL1 (0.47) ABL1ALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL18613962 0.75 ABL1 (0.46) ABL1ALDH1A1TDP1L3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190308934-A1 Prodrugs of Chlorokynurenines CEPHALON INC (US) 2019-10-10 US disclosed
US-20190308934-A1 Prodrugs of Chlorokynurenines CEPHALON INC (US) 2019-10-10 US disclosed
US-20180327351-A1 PRODRUGS OF CHLOROKYNURENINES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2018-11-15 US disclosed
EP-3347346-A1 PRODRUGS OF CHLOROKYNURENINES Cephalon, Inc. (US) 2018-07-18 EP disclosed
WO-2017044516-A1 PRODRUGS OF CHLOROKYNURENINES CEPHALON, INC. (US) 2017-03-16 WO disclosed
WO-2017044516-A1 PRODRUGS OF CHLOROKYNURENINES CEPHALON, INC. (US) 2017-03-16 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 (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-20190308934-A1 Prodrugs of Chlorokynurenines KMO, CYP2A13, KYNU ABL1 901/4885ALDH1A1 724/4885TDP1 1739/4885
US-20180327351-A1 PRODRUGS OF CHLOROKYNURENINES KMO, CYP2A13, KYNU ABL1 901/4885ALDH1A1 724/4885TDP1 1739/4885

“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.