SCHEMBL1938396

SCHEMBL1938396

O=C(Nc1cccnc1)c1cc(-c2cc(Cl)cc(Cl)c2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
KMO O15229 3/20 0.55
TP53 P04637 2/20 0.54
POLB P06746 1/20 0.54
CYP11B2 P19099 4/20 0.53
CYP11B1 P15538 1/20 0.53
CSF1R P07333 1/20 0.52
NAMPT P43490 1/20 0.51
KCNMA1 Q12791 1/20 0.51
RAB9A P51151 3/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL30429028 1.00 MAPT (0.56) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1938689 0.91 MAPT (0.64) MAPTMEN1KMT2AKMOTP53
SCHEMBL14742040 0.90 MAPT (0.62) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30428237 0.90 MAPT (0.62) MAPTALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1937303 0.90 MAPT (0.62) MAPTMEN1KMT2AKMOTP53
SCHEMBL1938467 0.88 KMO (0.63) MAPTALDH1A1LMNAKMOTP53
SCHEMBL1938357 0.86 KMO (0.60) KMO
SCHEMBL1938299 0.86 KMO (0.72) MAPTMEN1KMT2AKMOPOLB
SCHEMBL1937820 0.86 KMO (0.76) MAPTKMOTP53CYP11B2CYP11B1
SCHEMBL1938803 0.85 KMO (0.61) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF WITYAK JOHN (US) 2013-12-12 US claimed
US-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-07-28 US claimed
EP-2331095-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, Inc. (US) 2011-06-15 EP claimed
WO-2010017179-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 WO claimed
US-12036292-B2 Heterobiaryl compounds and imaging agents for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-07-16 US disclosed
CN-116323583-A Heterobiaryl compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2023-06-23 CN disclosed
EP-4192819-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2023-06-14 EP disclosed
US-20220040336-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2022-02-10 US disclosed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-9145373-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-09-29 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
EP-2331095-B1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2014-10-15 EP disclosed
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF WITYAK JOHN (US) 2013-12-12 US disclosed
US-8536186-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2013-09-17 US disclosed
US-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-07-28 US disclosed
EP-2331095-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, Inc. (US) 2011-06-15 EP disclosed
WO-2010017179-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 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 (5 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-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA MAPT 934/4885ALDH1A1 1087/4885MEN1 2218/4885
US-20220040336-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, ATXN2L MAPT 11/4885ALDH1A1 4803/4885MEN1 1693/4885
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO MAPT 865/4885ALDH1A1 1261/4885MEN1 1936/4885
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA MAPT 934/4885ALDH1A1 1087/4885MEN1 2218/4885
US-12036292-B2 Heterobiaryl compounds and imaging agents for imaging huntingtin protein HTT, HYPK, ATXN2L MAPT 11/4885ALDH1A1 4803/4885MEN1 1693/4885

“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.