SCHEMBL10035263

SCHEMBL10035263

Clc1cccnc1-c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.61
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CNR2 P34972 1/20 0.50
NPY5R Q15761 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 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
SCHEMBL2975854 0.81 CNR2 (0.46) CYP2A6ALDH1A1CYP1A2CNR2SMN1; SMN2
SCHEMBL7092910 0.81 CYP2A6 (0.67) CYP2A6ALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL29890067 0.80 CYP2A6 (0.56) CYP2A6ALDH1A1CYP1A2CYP3A4NPY5R
SCHEMBL28444314 0.80 PTGS2 (0.62) CYP2A6ALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL27958635 0.80 PTGS2 (0.62) CYP2A6ALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL16653633 0.79 RPS6KA5 (0.50) CYP2A6ALDH1A1CYP1A2CYP3A4NPY5R
SCHEMBL30343535 0.79 TRPV1 (0.46) ALDH1A1CYP1A2CYP3A4CNR2SMN1; SMN2
SCHEMBL31223211 0.79 CNR2 (0.45) CYP2A6ALDH1A1CYP1A2CNR2SMN1; SMN2
SCHEMBL28235436 0.78 PTGS2 (0.60) CYP2A6ALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL28440462 0.78 PTGS2 (0.60) CYP2A6ALDH1A1CYP1A2CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674068-A A kind of method for synthesizing Rynaxypyr derivatives intermediates 浙江工业大学 2018-02-09 CN claimed
CN-115605467-B PHD inhibitor compounds, compositions and uses thereof 阿克比治疗有限公司 2025-06-13 CN disclosed
CN-120004851-A PHD inhibitor compounds, compositions and uses thereof 阿克比治疗有限公司 2025-05-16 CN disclosed
CN-115605467-A PHD inhibitor compounds, compositions and uses thereof 阿克比治疗有限公司(US) 2023-01-13 CN disclosed
CN-114456213-A Organic electroluminescent material and device 环球展览公司 2022-05-10 CN disclosed
CN-107674068-A A kind of method for synthesizing Rynaxypyr derivatives intermediates 浙江工业大学 2018-02-09 CN disclosed
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 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 (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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN CYP2A6 138/4885ALDH1A1 1151/4885CYP1A2 302/4885

“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.