SCHEMBL505760

SCHEMBL505760

Nc1c(C(=O)O)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DTYMK P23919 1/20 0.44
ERN1 O75460 1/20 0.44
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
FBP1 P09467 1/20 0.42
TSHR P16473 2/20 0.41
CASP6 P55212 1/20 0.41
CTSB P07858 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL14667939 0.84 ALDH1A1 (0.50) GPR35ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL7055312 0.84 GPR35 (0.54) GPR35ALDH1A1LMNAKDM4EGLA
SCHEMBL3888136 0.82 ALDH1A1 (0.75) GPR35ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL21749931 0.82 GPR35 (0.52) GPR35LMNAKDM4EGLATDP1
SCHEMBL1446831 0.82 AKR1C2 (0.56) GPR35ALDH1A1KDM4EALOX15TDP1
SCHEMBL2591086 0.81 TSHR (0.56) GPR35ALDH1A1TDP1DTYMKERN1
SCHEMBL9086480 0.81 GPR35 (0.51) GPR35ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL505297 0.81 KDM4E (0.58) GPR35ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL505380 0.81 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4ALOX15TDP1
SCHEMBL18342840 0.81 GPR35 (0.51) GPR35ALDH1A1LMNAKDM4EGLA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3585772-B1 1, 4, 6-TRISUBSTITUTED-2-ALKYL-1H-BENZO[D]IMIDAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS MERCK PATENT GMBH (DE) 2023-10-11 EP disclosed
CN-110325514-B 1,4, 6-trisubstituted-2-alkyl-1H-benzo [ d ] imidazole derivatives as dihydroorotate oxygenase inhibitors 默克专利有限责任公司 2023-06-13 CN disclosed
US-11028054-B2 1, 4, 6-trisubstituted-2-alkyl-1H-benzo[d]imidazole derivatives as dihydroorotate oxygenase inhibitors MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
US-11028054-B2 1, 4, 6-trisubstituted-2-alkyl-1H-benzo[d]imidazole derivatives as dihydroorotate oxygenase inhibitors MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
US-20200140395-A1 1, 4, 6-TRISUBSTITUTED-2-ALKYL-1H-BENZO[D]IMIDAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS MERCK PATENT GMBH (DE) 2020-05-07 US disclosed
US-20200140395-A1 1, 4, 6-TRISUBSTITUTED-2-ALKYL-1H-BENZO[D]IMIDAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS MERCK PATENT GMBH (DE) 2020-05-07 US disclosed
WO-2018154088-A1 1, 4, 6-TRISUBSTITUTED-2-ALKYL-1H-BENZO[D]IMIDAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS MERCK PATENT GMBH (DE) 2018-08-30 WO disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-9932324-B2 Substituted benzimidazolium compounds useful in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-03 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
CN-1128797-C Farnesyl transferase inhibiting 1,8-annelated quinolinone derivs. substd. with N- or C-linked imidazoles JANSSEN PHARMACEUTICA NV (BE) 2003-11-26 CN disclosed
EP-0970079-B1 FARNESYL TRANSFERASE INHIBITING 1,8-ANNELATED QUINOLINONE DERIVATIVES SUBSTITUTED WITH N- OR C-LINKED IMIDAZOLES JANSSEN PHARMACEUTICA NV (BE) 2003-10-01 EP disclosed
US-6444812-B1 SUCH AS 7-(3-CHLOROPHENYL)-9-((4-CHLOROPHENYL)-1H-IMIDAZOL-1-YLMETHYL)-2,3-DIHYDRO -1H,5H-BENZO(IJ) QUINOLIZIN-5-ONE; FOR FORMING ONCOGENES FOR SIGNALLING TRANSFORMATION OF TUMOR CELLS JANSSEN PHARMACEUTICA N.V. (BE) 2002-09-03 US disclosed
US-20020049327-A1 Farnesyl transferase inhibiting 1,8-annelated quinolinone derivatives substituted with N- or C-linked imidazoles VENET MARC GASTON (FR) 2002-04-25 US disclosed
US-6187786-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2001-02-13 US disclosed
EP-0970079-A1 FARNESYL TRANSFERASE INHIBITING 1,8-ANNELATED QUINOLINONE DERIVATIVES SUBSTITUTED WITH N- OR C-LINKED IMIDAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2000-01-12 EP disclosed
WO-1998040383-A1 FARNESYL TRANSFERASE INHIBITING 1,8-ANNELATED QUINOLINONE DERIVATIVES SUBSTITUTED WITH N- OR C-LINKED IMIDAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 1998-09-17 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 (5 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-20200140395-A1 1, 4, 6-TRISUBSTITUTED-2-ALKYL-1H-BENZO[D]IMIDAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS DHODH, HAAO, OGDH GPR35 1877/4885ALDH1A1 92/4885LMNA 4321/4885
US-11028054-B2 1, 4, 6-trisubstituted-2-alkyl-1H-benzo[d]imidazole derivatives as dihydroorotate oxygenase inhibitors DHODH, HAAO, OGDH GPR35 1877/4885ALDH1A1 92/4885LMNA 4321/4885
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD GPR35 4023/4885ALDH1A1 95/4885LMNA 4317/4885
US-20020049327-A1 Farnesyl transferase inhibiting 1,8-annelated quinolinone derivatives substituted with N- or C-linked imidazoles HCCS, CYP7A1, DHCR7 GPR35 2795/4885ALDH1A1 533/4885LMNA 2864/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 GPR35 3868/4885ALDH1A1 1674/4885LMNA 1728/4885

“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.