SCHEMBL8512871

SCHEMBL8512871

O=C(C[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
EPHX1 P07099 2/20 0.56
EPHX2 P34913 2/20 0.56
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 4/20 0.52
NPC1 O15118 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 2/20 0.52
HSP90AA1 P07900 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51

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
SCHEMBL20165835 0.93 CYP3A4 (0.57) CYP3A4EPHX1EPHX2MAPTNPSR1
SCHEMBL27546640 0.86 HPGD (0.61) CYP3A4MAPTALDH1A1ALOX15MEN1
SCHEMBL10995578 0.86 TSHR (0.64) MAPTNPSR1ALDH1A1MEN1NPC1
SCHEMBL11348484 0.86 MEN1 (0.61) CYP3A4MAPTALDH1A1ALOX15MEN1
SCHEMBL5491596 0.83 ALDH1A1 (0.60) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL11763476 0.81 KMT2A (0.59) MAPTNPSR1ALDH1A1ALOX15HSD17B10
SCHEMBL4004069 0.80 CYP3A4 (0.69) CYP3A4EPHX1EPHX2MAPTNPSR1
SCHEMBL5494871 0.79 MAPT (0.45) CYP3A4MAPTALDH1A1MEN1KMT2A
SCHEMBL7088341 0.79 MEN1 (0.52) CYP3A4MAPTALDH1A1MEN1KMT2A
SCHEMBL1551584 0.79 MAPT (0.57) EPHX2MAPTNPSR1ALDH1A1HSD17B10

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
WO-2018091978-A1 A PROCESS FOR THE PREPARATION OF 2-NITRO-4,5- DICHLOROACETANILIDE AMOGH CHEMICALS PVT. LTD (IN) 2018-05-24 WO claimed
WO-2018091978-A1 A PROCESS FOR THE PREPARATION OF 2-NITRO-4,5- DICHLOROACETANILIDE AMOGH CHEMICALS PVT. LTD (IN) 2018-05-24 WO disclosed
WO-2018091978-A1 A PROCESS FOR THE PREPARATION OF 2-NITRO-4,5- DICHLOROACETANILIDE AMOGH CHEMICALS PVT. LTD (IN) 2018-05-24 WO disclosed
US-20130303781-A1 PROCESS FOR PREPARATION OF TRICLABENDAZOLE SEQUENT SCIENTIFIC LIMITED (IN) 2013-11-14 US disclosed
EP-2642995-A2 PROCESS FOR PREPARATION OF TRICLABENDAZOLE Sequent Scientific Ltd. (IN) 2013-10-02 EP disclosed
CN-103012277-A Process for synthesizing benzimidazole derivative ZHANG WANYING 2013-04-03 CN disclosed
WO-2012070068-A2 PROCESS FOR PREPARATION OF TRICLABENDAZOLE SEQUENT SCIENTIFIC LIMITED (IN) 2012-05-31 WO disclosed
CN-102452985-A Synthesis process of benzimidazole derivative YIHE TONG 2012-05-16 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 (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-20130303781-A1 PROCESS FOR PREPARATION OF TRICLABENDAZOLE NIT2, CA3, TET3 CYP3A4 375/4885EPHX1 2525/4885EPHX2 1878/4885

“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.