SCHEMBL15319178

SCHEMBL15319178

O=C(O)C1(C(=O)c2ccc(Cl)c(Cl)c2)CN1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CYP2D6 P10635 3/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
KCNH2 Q12809 1/20 0.47
SRD5A2 P31213 1/20 0.46
KMO O15229 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.42

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
SCHEMBL6677901 0.76 TSHR (0.55) TSHRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL21448794 0.70 TSHR (0.52) TSHRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL21448791 0.70 TSHR (0.52) TSHRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL29353637 0.69 TSHR (1.00) TSHRSRD5A2KMOKDM4EMEN1
SCHEMBL8352471 0.69 TSHR (1.00) TSHRSRD5A2KMOKDM4EMEN1
SCHEMBL371998 0.69 TSHR (1.00) TSHRSRD5A2KMOKDM4EMEN1
SCHEMBL15319811 0.68 KMO (0.43) TSHRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL413913 0.68 SLC6A2 (0.77) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL414235 0.68 SLC6A4 (0.63) TSHRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL14563971 0.68 MAPT (0.60) TSHRCYP2D6SLC6A2SLC6A4SLC6A3

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-3130583-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2024-01-03 EP disclosed
US-10442782-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-15 US disclosed
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-09 US disclosed
US-9822058-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-11-21 US disclosed
EP-3130583-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2017-02-15 EP disclosed
US-20150057238-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2015-02-26 US disclosed
EP-2833879-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2015-02-11 EP disclosed
WO-2013151707-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2013-10-10 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 (3 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-20150057238-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT TSHR 4002/4885CYP2D6 282/4885SLC6A2 184/4885
US-10442782-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof KMO, KYNU, AADAT TSHR 4002/4885CYP2D6 282/4885SLC6A2 184/4885
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT TSHR 4002/4885CYP2D6 282/4885SLC6A2 184/4885

“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.