SCHEMBL18050879

SCHEMBL18050879

COc1ccc(Cn2cnc(C(N)=O)c2C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 2/20 0.46
GAA P10253 3/20 0.46
TSHR P16473 1/20 0.46
CYP11B2 P19099 3/20 0.45
CYP11B1 P15538 2/20 0.45
SCD O00767 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPY1R P25929 1/20 0.43
QPCT Q16769 1/20 0.42
BRD4 O60885 1/20 0.42
CYP19A1 P11511 1/20 0.42
PDE8B O95263 1/20 0.42
NR3C1 P04150 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
SCHEMBL7987441 0.86 MEN1 (0.49) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL11547939 0.86 NPC1 (0.47) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL18050874 0.85 SCD (0.49) NPC1RAB9AMEN1KMT2APKM
SCHEMBL18050873 0.84 SCD (0.50) RAB9APKMGAATSHRCYP11B2
SCHEMBL18050890 0.83 SCD (0.56) PKMGAATSHRCYP11B2CYP11B1
SCHEMBL18050897 0.82 PKM (0.49) RAB9AMEN1KMT2APKMGAA
SCHEMBL20591093 0.81 CYP11B2 (0.48) MEN1KMT2AL3MBTL1PKMGAA
SCHEMBL18050895 0.80 CYP11B2 (0.46) PKMGAATSHRCYP11B2SCD
SCHEMBL7988231 0.79 NPC1 (0.47) NPC1RAB9AKMT2AMMP13
SCHEMBL28150125 0.79 PKM (0.57) MEN1KMT2APKMGAATSHR

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
CN-106692138-B Application of N-benzyl imidazole amide derivative as polymyxin antibiotic synergist 广州英赛特生物技术有限公司 2020-08-04 CN disclosed
US-10435376-B2 Derivatives of 1H-imidazole-4,5-dicarboxamide and use thereof in preparation of anticoccidial drugs Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2019-10-08 US disclosed
US-10435376-B2 Derivatives of 1H-imidazole-4,5-dicarboxamide and use thereof in preparation of anticoccidial drugs Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2019-10-08 US disclosed
US-20180370921-A1 Derivatives of 1H-imidazole-4,5-dicarboxamide and Use Thereof in Preparation of Anticoccidial Drugs GUANGZHOU INSIGHTER BIOTECHNOLOGY CO.,LTD. (CN) 2018-12-27 US disclosed
WO-2017113525-A1 APPLICATION OF N-BENZYLIMIDAZOLECARBOXAMIDE DERIVATIVES AS SYNERGIST FOR POLYMYXIN ANTIBIOTICS 广州英赛特生物技术有限公司 2017-07-06 WO disclosed
WO-2016141736-A1 GLYCALPYRAMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF ANTICOCCIDIAL DRUG 广州英赛特生物技术有限公司 2016-09-15 WO disclosed
WO-2016141736-A1 GLYCALPYRAMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF ANTICOCCIDIAL DRUG 广州英赛特生物技术有限公司 2016-09-15 WO disclosed
CN-104672145-A Glycalpyramide derivative and application thereof in preparing anticoccidial drug GUANGZHOU INSIGHTER BIOTECHNOLOGY CO LTD 2015-06-03 CN 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-20180370921-A1 Derivatives of 1H-imidazole-4,5-dicarboxamide and Use Thereof in Preparation of Anticoccidial Drugs CYP3A5, DDC, CPS1 NPC1 3374/4885RAB9A 2684/4885MEN1 2223/4885
US-10435376-B2 Derivatives of 1H-imidazole-4,5-dicarboxamide and use thereof in preparation of anticoccidial drugs CYP3A5, DDC, CPS1 NPC1 3374/4885RAB9A 2684/4885MEN1 2223/4885

“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.