SCHEMBL9978640

SCHEMBL9978640

CONC(CO)Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ CYP2C19 P33261 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ CRHR1 P34998 1/20 0.30

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
SCHEMBL9978634 0.83 CRHR1 (0.30) CRHR1
SCHEMBL23794996 0.77 SLC6A4 (0.41) KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL2366778 0.77 SLC6A4 (0.41) KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL16335384 0.77 SLC6A4 (0.41) KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL9094561 0.69 LMNA (0.45) KMT2ACRHR1
SCHEMBL11566355 0.68 ABCB1 (0.38) —
SCHEMBL2366758 0.68 KMT2A (0.40) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28249834 0.66 CYP3A4 (0.43) CYP1A2CYP2D6CYP2C19
SCHEMBL25890496 0.66 CYP3A4 (0.43) CYP1A2CYP2D6CYP2C19
SCHEMBL22103844 0.65 ALDH1A1 (0.39) CYP1A2CYP2D6CYP2C19

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-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 KMT2A 3956/4885CYP1A2 727/4885CYP2D6 354/4885

“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.

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