SCHEMBL6375592

SCHEMBL6375592

NCc1ccc(-c2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
DRD1 P21728 2/20 0.52
TAAR1 Q96RJ0 3/20 0.48
ST14 Q9Y5Y6 1/20 0.45
SLC6A4 P31645 1/20 0.44
MAOB P27338 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
PPARG P37231 6/20 0.41
PPARA Q07869 5/20 0.41
DAGLA Q9Y4D2 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 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
SCHEMBL317872 0.94 ST14 (0.50) HRH3DRD1ST14SLC6A4MAOB
SCHEMBL13264261 0.82 DRD1 (0.68) DRD1SLC6A4PPARGPPARADAGLA
SCHEMBL21816553 0.80 RAB9A (0.43) DRD1SLC6A4
SCHEMBL9061966 0.80 DRD1 (0.52) DRD1PPARGPPARADAGLALMNA
SCHEMBL3640668 0.78 TAAR1 (0.55) TAAR1MAOB
SCHEMBL8379956 0.77 DRD1 (0.49) DRD1MAOBPPARGPPARADAGLA
SCHEMBL3536741 0.77 DRD1 (0.57) DRD1TAAR1SLC6A4LMNA
SCHEMBL28006451 0.76 ST14 (0.74) HRH3TAAR1ST14MAOBLOXL2
Hydrochloric Acid SCHEMBL4503674 0.76 TAAR1 (0.53) TAAR1MAOB
SCHEMBL2027893 0.76 ST14 (0.45) HRH3ST14MAOBLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085524-A1 Pyrazolecarboxamides, intermediates therefor and pest control agent comprising the same as active ingredients NIHON NOHYAKU CO,. LTD. (JP) 2005-04-21 US disclosed
CN-1511142-A Pyrazole amide derivative, intermediate for producing the same, and pest control agent containing the same as active ingredient 日本农药株式会社 2004-07-07 CN disclosed
EP-1384714-A1 PYRAZOLECARBOXAMIDE DERIVATIVE, INTERMEDIATE THEREFOR, AND PEST CONTROL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT Nihon Nohyaku Co., Ltd. (JP) 2004-01-28 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 (1 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-20050085524-A1 Pyrazolecarboxamides, intermediates therefor and pest control agent comprising the same as active ingredients NOTUM, CYP51A1, CBR3 HRH3 204/4885DRD1 1164/4885TAAR1 2300/4885

“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.