SCHEMBL919574

SCHEMBL919574

Clc1ccccc1COc1c[c]ccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
IDO1 P14902 2/20 0.46
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL5227562 0.87 IDO1 (0.49) NR4A2NPC1RAB9AMAOBMAOA
SCHEMBL27650144 0.83 NR4A2 (0.41) NR4A2NPC1RAB9AMAOBMAPT
SCHEMBL22534449 0.83 NR4A2 (0.53) NR4A2IDO1MAPTMEN1KMT2A
SCHEMBL6999493 0.81 SMN1; SMN2 (0.53) NR4A2NPC1RAB9AMEN1KMT2A
SCHEMBL920476 0.81 NR4A2 (0.57) NR4A2NPC1RAB9AMAOBMAOA
SCHEMBL27630109 0.80 RAB9A (0.46) NR4A2RAB9AMAPTMEN1KMT2A
SCHEMBL919794 0.80 MAOB (0.49) MAOBKMT2A
SCHEMBL920290 0.80 MAOB (0.51) NPC1RAB9AMAOBIDO1HTT
SCHEMBL9812484 0.80 NR4A2 (0.69) NR4A2NPC1RAB9AMAOBMAOA
SCHEMBL6639679 0.79 CHRM2 (0.46) TP53MEN1KMT2ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134754-A1 BENZOIMIDAZOLE GLYCINAMIDES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 WO claimed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 US claimed
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 CN claimed
US-11618744-B2 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-04-04 US disclosed
US-20210078978-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-18 US disclosed
US-10851083-B2 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2020-12-01 US disclosed
EP-3277674-B1 TRIAZOL DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2019-09-11 EP disclosed
CN-105622580-B Benzimidazole as prolyl hydroxylase inhibitors 詹森药业有限公司 2019-06-21 CN disclosed
US-20180339976-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-29 US disclosed
US-20180215732-A9 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-08-02 US disclosed
US-20180022733-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-01-25 US disclosed
EP-0945437-B1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS BIOTECH CORP (JP) 2006-11-02 EP disclosed
US-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same SDS BIOTECH K.K. (JP) 2005-01-20 US disclosed
US-6809065-B2 ON ALGAE OR WEEDS; CROP SELECTIVITY SDS BIOTECH K.K. (JP) 2004-10-26 US disclosed
EP-1464642-A1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME SDS Biotech K.K. (JP) 2004-10-06 EP disclosed
EP-1407667-A1 HERBICIDE CONTAINING SUBSTITUTED PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT SDS Biotech K.K. (JP) 2004-04-14 EP disclosed
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient SDS BIOTECH K.K. (JP) 2004-02-19 US disclosed
EP-0945437-A1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS Biotech K.K. (JP) 1999-09-29 EP disclosed
CN-1122800-A Pyrimidinyl acrylic acid derivatives SANDOZ LTD (CH) 1996-05-22 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 (9 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-11618744-B2 Benzoimidazoles as prolyl hydroxylase inhibitors P4HA1, PAH, EGLN3 NR4A2 2078/4885NPC1 1042/4885RAB9A 3990/4885
US-20180339976-A1 NOVEL TRIAZOLE DERIVATIVES ERG28, CYP51A1, SBK3 NR4A2 1505/4885NPC1 3654/4885RAB9A 3186/4885
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives CFTR, PKD1, PKD2 NR4A2 2709/4885NPC1 518/4885RAB9A 2706/4885
US-20180022733-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 NR4A2 2078/4885NPC1 1042/4885RAB9A 3990/4885
US-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same HPD, HDHD5, CYP2E1 NR4A2 2029/4885NPC1 4397/4885RAB9A 2379/4885
US-10851083-B2 Benzoimidazoles as prolyl hydroxylase inhibitors P4HA1, PAH, EGLN3 NR4A2 2078/4885NPC1 1042/4885RAB9A 3990/4885
US-20180215732-A9 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 NR4A2 2078/4885NPC1 1042/4885RAB9A 3990/4885
US-20210078978-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 NR4A2 2078/4885NPC1 1042/4885RAB9A 3990/4885
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient DDT, SULT2A1, CYP2E1 NR4A2 2644/4885NPC1 4723/4885RAB9A 3448/4885

“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.