SCHEMBL629943

SCHEMBL629943

Cc1ccc(C(=O)O)c(C)c1.Cc1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ KDM4C Q9H3R0 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ GABRG1 Q8N1C3 1/20 0.41
▸ GABRG3 Q99928 1/20 0.41
▸ GABRQ Q9UN88 1/20 0.41

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
SCHEMBL8329965 0.80 LMNA (0.50) NPC1RAB9ALDHALMNAGAA
SCHEMBL107259 0.80 CSNK2A1 (0.59) CSNK2A1KDM4ENFE2L2SMN1; SMN2MEN1
SCHEMBL30679777 0.80 CSNK2A1 (0.59) CSNK2A1KDM4ENFE2L2SMN1; SMN2MEN1
SCHEMBL6908325 0.78 CSNK2A1 (0.57) NPC1RAB9ACSNK2A1KDM4ENFE2L2
Bromide SCHEMBL6113400 0.78 CSNK2A1 (0.57) NPC1RAB9ACSNK2A1KDM4ENFE2L2
SCHEMBL6917296 0.78 CSNK2A1 (0.57) NPC1RAB9ACSNK2A1KDM4ENFE2L2
SCHEMBL6915319 0.78 CSNK2A1 (0.57) NPC1RAB9ACSNK2A1KDM4ENFE2L2
SCHEMBL6916723 0.78 CSNK2A1 (0.57) NPC1RAB9ACSNK2A1KDM4ENFE2L2
SCHEMBL6912721 0.78 CSNK2A1 (0.57) NPC1RAB9ACSNK2A1KDM4ENFE2L2
Charcoal, Activated SCHEMBL7747676 0.78 CSNK2A1 (0.57) NPC1RAB9ACSNK2A1KDM4ENFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168638-B2 Pyrazinecarboxamide derivatives and plant disease controlling agents containing the same NIHON NOHYAKU CO., LTD. (JP) 2012-05-01 — — US disclosed
EP-1963286-B1 PYRAZINECARBOXAMIDE DERIVATIVES AND PLANT DISEASE CONTROLLING AGENTS CONTAINING THE SAME NIHON NOHYAKU CO LTD (JP) 2012-02-22 — — EP disclosed
US-20090233934-A1 Pyrazinecarboxamide Derivatives and Plant Disease Controlling Agents Containing the Same NIHON NOHYAKU CO., LTD. (JP) 2009-09-17 — — US disclosed
EP-1963286-A1 PYRAZINECARBOXAMIDE DERIVATIVES AND PLANT DISEASE CONTROLLING AGENTS CONTAINING THE SAME Nihon Nohyaku Co., Ltd. (JP) 2008-09-03 — — EP disclosed
WO-2007072999-A1 PYRAZINECARBOXAMIDE DERIVATIVES AND PLANT DISEASE CONTROLLING AGENTS CONTAINING THE SAME NIHON NOHYAKU CO., LTD (JP) 2007-06-28 — — 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-20090233934-A1 Pyrazinecarboxamide Derivatives and Plant Disease Controlling Agents Containing the Same CBR3, CNPY2, AADAC NPC1 1151/4885RAB9A 2534/4885KDM4C 349/4885

“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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