SCHEMBL9978632

SCHEMBL9978632

CONC(CF)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
IDO1 P14902 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL2366964 0.80 CYP1A2 (0.48) HTTIDO1MEN1KMT2ACYP3A4
SCHEMBL9978634 0.80 CRHR1 (0.30)
SCHEMBL9729609 0.70 IDO1 (0.47) HTTIDO1MEN1KMT2ACYP3A4
SCHEMBL2659771 0.69 IDO1 (0.54) HTTIDO1MEN1KMT2ACYP3A4
SCHEMBL2367025 0.69 CYP3A4 (0.47) HTTIDO1MEN1KMT2ACYP3A4
SCHEMBL8219998 0.68 HTT (0.60) HTTIDO1MEN1KMT2ACYP3A4
SCHEMBL13941323 0.68 GAA (0.51) HTTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL2367386 0.68 CYP3A4 (0.46) HTTIDO1MEN1KMT2ACYP3A4
SCHEMBL10587518 0.67 IDO1 (0.47) HTTIDO1MEN1KMT2ACYP3A4
SCHEMBL3437067 0.67 IDO1 (0.47) HTTIDO1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576515-B1 Pyrazolecarboxamide derivatives and their use as microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2014-04-16 EP disclosed
EP-2576515-B1 Pyrazolecarboxamide derivatives and their use as microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2014-04-16 EP disclosed
US-8552049-B2 Pyrazolecarboxamide derivatives and their use as microbiocides Syngenta Corp Protection, LLC (US) 2013-10-08 US disclosed
US-8552049-B2 Pyrazolecarboxamide derivatives and their use as microbiocides Syngenta Corp Protection, LLC (US) 2013-10-08 US disclosed
US-8552049-B2 Pyrazolecarboxamide derivatives and their use as microbiocides Syngenta Corp Protection, LLC (US) 2013-10-08 US disclosed
EP-2576515-A1 PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES Syngenta Participations AG (CH) 2013-04-10 EP disclosed
US-20130072535-A1 PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-21 US disclosed
US-20130072535-A1 PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-21 US disclosed
US-20130072535-A1 PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-21 US disclosed
WO-2011147690-A1 PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-01 WO disclosed
WO-2011147690-A1 PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-01 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 (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-20130072535-A1 PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES HRH4, MRGPRX4, C3AR1 HTT 2391/4885IDO1 371/4885MEN1 1001/4885

“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.