SCHEMBL9978973

SCHEMBL9978973

O=C(CO)Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ AKR1C4 P17516 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ TPMT P51580 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GPR17 Q13304 1/20 0.33

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
SCHEMBL9978855 0.81 AKR1B1 (0.36) AKR1B1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL11052254 0.78 AKR1B1 (0.63) AKR1B1ALDH1A1HSD17B10CYP3A4RECQL
SCHEMBL5191843 0.77 AKR1B1 (0.61) AKR1B1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL2366776 0.76 AKR1B1 (0.39) AKR1B1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL5164705 0.76 TPMT (0.39) TSHRP2RX7TPMT
SCHEMBL2211442 0.74 IDO1 (0.53) CYP3A4MAPK1P2RX7HPGDL3MBTL1
SCHEMBL31204467 0.74 IDO1 (0.53) CYP3A4MAPK1P2RX7HPGDL3MBTL1
SCHEMBL7617723 0.71 AKR1B1 (0.39) AKR1B1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL320021 0.71 TSHR (0.48) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL5794837 0.68 P2RX7 (0.45) ALDH1A1TSHRHSD17B10CYP3A4RECQL

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 12 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
WO-2013157651-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-24 — — WO 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 AKR1B1 1373/4885ALDH1A1 2869/4885TSHR 989/4885

“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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