SCHEMBL16217899

SCHEMBL16217899

Cc1ccc(-c2cc(C(=O)Nc3cccnc3)ncn2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
KMO O15229 4/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP11B2 P19099 2/20 0.51
HSD17B10 Q99714 1/20 0.50
CSF1R P07333 2/20 0.49
MAPT P10636 2/20 0.48
BRAF P15056 1/20 0.47
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46

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
SCHEMBL1937820 0.90 KMO (0.76) NPC1KMOCYP11B2CSF1RMAPT
SCHEMBL30429024 0.87 KMO (0.61) KMOMEN1KMT2ACYP11B2MAPT
SCHEMBL1938803 0.87 KMO (0.61) KMOMEN1KMT2ACYP11B2MAPT
SCHEMBL16217895 0.86 KMO (0.62) NPC1KMOHSD17B10MAPTRAB9A
SCHEMBL30428237 0.85 MAPT (0.62) NPC1KMOMEN1KMT2ACYP11B2
SCHEMBL14742040 0.85 MAPT (0.62) NPC1KMOMEN1KMT2ACYP11B2
SCHEMBL16217822 0.85 KMO (0.61) KMOMEN1KMT2ACYP11B2CSF1R
SCHEMBL30429048 0.85 KMO (0.61) KMOMEN1KMT2ACYP11B2CSF1R
SCHEMBL1939132 0.84 CYP11B2 (0.59) KMOMEN1KMT2ACYP11B2HSD17B10
SCHEMBL30429279 0.84 CYP11B2 (0.59) KMOMEN1KMT2ACYP11B2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO NPC1 2390/4885KMO 1/4885MEN1 1936/4885

“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.