SCHEMBL16614191

SCHEMBL16614191

CC1Cc2cc(C(=O)[C@H]3C[C@@H]3C(=O)O)ccc2O1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.68
KMO O15229 2/20 0.50
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP11B2 P19099 2/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GLA P06280 1/20 0.36
FABP5 Q01469 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL20032573 0.89 TDP1 (0.63) TDP1KMORAB9APOLBAPEX1
SCHEMBL18084701 0.87 TDP1 (0.60) TDP1KMORAB9APOLBAPEX1
SCHEMBL8690783 0.81 TDP1 (1.00) TDP1RAB9APOLBAPEX1RECQL
SCHEMBL1092598 0.78 TDP1 (0.77) TDP1RAB9APOLBAPEX1RECQL
SCHEMBL8691132 0.77 TDP1 (0.74) TDP1RAB9APOLBAPEX1RECQL
SCHEMBL16600346 0.76 KMO (0.51) TDP1KMO
SCHEMBL21231297 0.76 KMO (0.51) TDP1KMO
SCHEMBL21218966 0.76 KMO (0.51) TDP1KMO
SCHEMBL16600309 0.76 KMO (0.51) TDP1KMO
SCHEMBL15337102 0.75 KMO (0.52) KMORAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-22 US claimed
EP-3049389-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-08-07 EP disclosed
EP-3049389-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-08-07 EP disclosed
US-20190047977-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2019-02-14 US disclosed
US-20190047977-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2019-02-14 US disclosed
US-9938252-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-04-10 US disclosed
US-9938252-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-04-10 US disclosed
US-9938252-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-04-10 US disclosed
US-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-22 US disclosed
US-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-22 US disclosed
US-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-22 US disclosed
WO-2015047978-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2015-04-02 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-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT TDP1 338/4885KMO 1/4885RAB9A 3278/4885
US-20190047977-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT TDP1 339/4885KMO 1/4885RAB9A 3281/4885

“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.