SCHEMBL5227562

SCHEMBL5227562

Clc1cccc(COc2c[c]ccc2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
PNMT P11086 1/20 0.42
NR4A2 P43354 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
CARM1 Q86X55 1/20 0.38
OPRD1 P41143 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
BRD4 O60885 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL919574 0.87 NR4A2 (0.49) IDO1NR4A2NPC1RAB9AMAOB
SCHEMBL6999493 0.82 SMN1; SMN2 (0.53) NR4A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL697645 0.82 IDO1 (0.53) IDO1PNMTNR4A2NPC1RAB9A
SCHEMBL27630098 0.81 NR1H2 (0.44) IDO1MAOBMAOAP2RX7ALDH1A1
SCHEMBL27650144 0.77 NR4A2 (0.41) NR4A2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL22534449 0.77 NR4A2 (0.53) IDO1NR4A2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1151745 0.77 IDO1 (0.47) IDO1PNMTNR4A2NPC1RAB9A
SCHEMBL27630166 0.76 KMT2A (0.47) RAB9ATAAR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5227019 0.75 FFAR1 (0.40) MAOBKMT2A
SCHEMBL9034998 0.75 NPC1 (0.54) NPC1RAB9ASMN1; SMN2POLBKMT2A

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
EP-1407667-B1 HERBICIDE CONTAINING SUBSTITUTED PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT SDS BIOTECH CORP (JP) 2007-09-26 EP disclosed
EP-1464642-B1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME SDS BIOTECH CORP (JP) 2007-08-29 EP disclosed
US-7192906-B2 Substituted pyrazole derivatives, production process thereof, and herbicide compositions containing the derivatives SDS BIOTECH K.K. (JP) 2007-03-20 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

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-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same HPD, HDHD5, CYP2E1 IDO1 2228/4885PNMT 1907/4885NR4A2 2029/4885
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient DDT, SULT2A1, CYP2E1 IDO1 41/4885PNMT 2586/4885NR4A2 2644/4885

“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.