SCHEMBL17255209

SCHEMBL17255209

Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.64
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
KDM4E B2RXH2 3/20 0.64
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
AURKA O14965 1/20 0.48
CDK1 P06493 1/20 0.48
CDK2 P24941 1/20 0.48
AURKB Q96GD4 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 2/20 0.47
ABCB11 O95342 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GSK3B P49841 1/20 0.47
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 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
SCHEMBL3844546 0.89 RAB9A (0.60) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL17255161 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL17255145 0.87 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL17255154 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL3842984 0.86 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL17255171 0.86 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL17255197 0.85 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL5952231 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KDM4EAURKA
SCHEMBL17255187 0.83 MAPT (0.52) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL17268724 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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
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-9951049-B2 Pyrazole linked benzimidazole conjugates and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
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
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 NPC1 4568/4885RAB9A 4061/4885SMN1; SMN2 450/4885

“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.