SCHEMBL5223243

SCHEMBL5223243

C=NOCc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
MAOB P27338 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
CYP2A13 Q16696 1/20 0.38
CTBP2 P56545 1/20 0.37
CHRM2 P08172 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ACHE P22303 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL5223238 0.81 TAAR1 (0.43) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL18339323 0.79 GABRA1 (0.37) TSHRMAPT
SCHEMBL11817048 0.79 MAOB (0.45) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL16830365 0.77 SLC22A12 (0.35) TAAR1ACHETSHRKMT2A
SCHEMBL28473452 0.76 IDO1 (0.58) TAAR1CHRM2ACHEMAPTSMN1; SMN2
SCHEMBL17986232 0.76 TAAR1 (0.39) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL25923621 0.76 MAOB (0.46) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL17986233 0.76 TAAR1 (0.39) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL17448775 0.76 ALDH1A1 (0.39) TAAR1TSHRKMT2AMAPTSMN1; SMN2
SCHEMBL1146168 0.76 TAAR1 (0.46) TAAR1MAOBADRA2AADRA2BADRA2C

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 TAAR1 4320/4885MAOB 2752/4885ADRA2A 3485/4885
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient DDT, SULT2A1, CYP2E1 TAAR1 3345/4885MAOB 2829/4885ADRA2A 3976/4885

“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.