SCHEMBL17255153

SCHEMBL17255153

COc1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)[nH]n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.61
NPC1 O15118 9/20 0.61
MAPT P10636 9/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 4/20 0.61
HTT P42858 4/20 0.61
NFKB1 P19838 4/20 0.61
NFKB2 Q00653 4/20 0.61
RELA Q04206 4/20 0.61
NPBWR1 P48145 4/20 0.61
MAPK1 P28482 3/20 0.61
GAA P10253 2/20 0.61
STAT1 P42224 1/20 0.61
SAE1 Q9UBE0 1/20 0.61
UBA2 Q9UBT2 1/20 0.61
AMY1A P0DUB6 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 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
SCHEMBL17255324 0.92 NPBWR1 (0.53) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17255155 0.88 NPBWR1 (0.59) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17255173 0.88 RAB9A (0.49) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17255256 0.86 AMY1A (0.52) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17255200 0.86 NPC1 (0.65) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17255242 0.86 NPC1 (0.49) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17255164 0.86 MAPT (0.57) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17255193 0.86 AMY1A (0.49) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17255174 0.85 RAB9A (0.61) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL2244388 0.85 NPBWR1 (0.81) RAB9ANPC1MAPTMEN1KMT2A

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-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 US claimed
EP-2944635-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2015-11-18 EP claimed
US-9951049-B2 Pyrazole linked benzimidazole conjugates and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 US disclosed
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 US disclosed
EP-2944635-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2015-11-18 EP disclosed
EP-2944635-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2015-11-18 EP 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-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF BRDT, MCL1, MGST3 RAB9A 4061/4885NPC1 4568/4885MAPT 1962/4885

“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.