SCHEMBL3335995

SCHEMBL3335995

O=[N+]([O-])c1ccc2[nH]c(-c3cccc(Cl)c3)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 12/20 0.81
RAB9A P51151 5/20 0.64
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HTT P42858 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
NPC1 O15118 4/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
MMP13 P45452 3/20 0.56
MMP2 P08253 3/20 0.56
MMP9 P14780 3/20 0.56
MMP8 P22894 3/20 0.56
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54

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
SCHEMBL26731641 0.90 NPBWR1 (1.00) NPBWR1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL28761269 0.89 RAB9A (0.80) NPBWR1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL7386711 0.86 RAB9A (0.66) NPBWR1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL3193088 0.85 NPBWR1 (0.80) NPBWR1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL2308775 0.85 NPBWR1 (0.79) NPBWR1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL14447531 0.85 RAB9A (0.64) NPBWR1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL3190872 0.83 NPBWR1 (0.65) NPBWR1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL5758635 0.83 NPBWR1 (0.71) NPBWR1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL5566197 0.82 NPC1 (0.78) NPBWR1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL3336441 0.82 KDM4E (0.59) NPBWR1RAB9AMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528793-B2 Compounds for treating tuberculosis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2026-01-20 US disclosed
CN-115380029-B Compounds for the treatment of tuberculosis 南洋理工大学 2025-06-17 CN disclosed
US-20230348436-A1 COMPOUNDS FOR TREATING TUBERCULOSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-11-02 US disclosed
CN-115380029-A Compounds for the treatment of tuberculosis 南洋理工大学 2022-11-22 CN disclosed
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
WO-2008140239-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 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-20230348436-A1 COMPOUNDS FOR TREATING TUBERCULOSIS DOT1L, HAT1, UQCRB NPBWR1 1416/4885RAB9A 1643/4885MAPT 2454/4885
US-12528793-B2 Compounds for treating tuberculosis TPMT, UQCRB, ARG1 NPBWR1 2870/4885RAB9A 1872/4885MAPT 2743/4885
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 NPBWR1 560/4885RAB9A 687/4885MAPT 685/4885

“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.