SCHEMBL4248472

SCHEMBL4248472

COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.70
MEN1 O00255 8/20 0.70
RAB9A P51151 7/20 0.70
NPC1 O15118 7/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
ALDH1A1 P00352 2/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
GAA P10253 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
HTT P42858 3/20 0.64
ALOX5 P09917 1/20 0.63
MAPT P10636 8/20 0.61
MAPK1 P28482 1/20 0.60
PLAU P00749 1/20 0.57
MITF O75030 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL8079376 0.88 NPC1 (0.74) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL1986154 0.88 KMT2A (0.74) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL2061754 0.87 ALOX5 (0.77) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL2633343 0.87 ALOX5 (0.77) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL31680508 0.86 NPC1 (0.93) KMT2AMEN1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL9423776 0.86 ALOX5 (0.75) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL12218328 0.85 MEN1 (0.60) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL8392815 0.84 MEN1 (0.55) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL12479231 0.83 MAPT (0.64) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4248077 0.83 NPC1 (1.00) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187467-B2 2-phenyl benzothiazole linked imidazole compounds as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-17 US disclosed
US-20150141657-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-21 US disclosed
EP-2556072-B1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-05-21 EP disclosed
EP-2556072-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-02-13 EP disclosed
WO-2012110959-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-23 WO disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 KMT2A 632/4885MEN1 1233/4885RAB9A 733/4885
US-20150141657-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF NFE2L2, TPT1, CCNT1 KMT2A 305/4885MEN1 2781/4885RAB9A 2123/4885

“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.