Sugi Predict

Sugi Predict / Compounds / SCHEMBL19749

SCHEMBL19749

SCHEMBL19749

O=C(Nc1ccccc1)n1cccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ PDE4B Q07343 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL18993409 0.84 ELANE (0.41) ELANESMN1; SMN2PDE4BRAB9AALDH1A1
SCHEMBL15016132 0.83 RAB9A (0.54) SMN1; SMN2TP53RAB9AALDH1A1NPC1
SCHEMBL23070702 0.82 KMT2A (0.50) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL8890115 0.80 NAMPT (0.54) SMN1; SMN2TSHRGAARAB9AALDH1A1
SCHEMBL18010125 0.80 AKR1C3 (0.39) ELANESMN1; SMN2PDE4BRAB9AALDH1A1
SCHEMBL16692702 0.80 ELANE (0.38) ELANESMN1; SMN2PDE4BRAB9AALDH1A1
SCHEMBL17276579 0.80 RAB9A (0.51) SMN1; SMN2TP53GAARAB9AALDH1A1
SCHEMBL18604415 0.80 ALDH1A1 (0.46) SMN1; SMN2TP53TSHRGAARAB9A
SCHEMBL6289489 0.79 TAAR1 (0.44) ELANETAAR1SMN1; SMN2TP53EPHX1
SCHEMBL29287405 0.77 RAB9A (0.58) SMN1; SMN2GAARAB9ANPC1PKM

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 360 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104628646-B N-pyrazolyl formanilide compound, intermediate, composition, preparation method and application 中国科学院上海有机化学研究所 2017-11-07 — — CN claimed
EP-1856055-B1 PYRAZOLE CARBOXYLIC ACID ANILIDES, METHOD FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THEM FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2014-10-01 — — EP claimed
US-20140128617-A1 METHOD FOR PRODUCING PYRAZOLYLCARBOXANILIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-08 — — US claimed
CN-103619822-A Method for producing pyrazolylcarboxanilides BAYER IP GMBH 2014-03-05 — — CN claimed
EP-1925613-B1 SUBSTITUTED PYRAZOLECARBOXYLIC ACID ANILIDE DERIVATIVE OR SALT THEREOF, INTERMEDIATE THEREOF, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND USE THEREOF NIHON NOHYAKU CO LTD (JP) 2013-04-10 — — EP claimed
US-8404861-B2 Substituted pyrazolecarboxylic acid anilide derivative or salt thereof, intermediate thereof, agent for agricultural and horticultural use, and use thereof NIHON NOHYAKU CO., LTD. (JP) 2013-03-26 — — US claimed
EP-1590330-B1 PYRAZOLYL CARBOXANILIDES FOR CONTROLLING UNWANTED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2013-02-27 — — EP claimed
EP-1414803-B1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-12-12 — — EP claimed
EP-1490342-B8 DISUBSTITUTED PYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2012-11-07 — — EP claimed
EP-1678143-B8 N-SUBSTITUTED PYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2011-10-12 — — EP claimed
CN-1533380-A N-pyrazolylcarboxanilides as fungicides �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-09-29 — — CN claimed
WO-2004067515-A1 PYRAZOLYL CARBOXANILIDES FOR CONTROLLING UNWANTED MICROORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-12 — — WO claimed
EP-1414803-A1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES Bayer CropScience AG (DE) 2004-05-06 — — EP claimed
CN-1130348-C Pyrazole carboxanilide fungicide BAYER AG (DE) 2003-12-10 — — CN claimed
WO-2003070705-A1 DISUBSTITUTED PYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-28 — — WO claimed
WO-2003010149-A1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2003-02-06 — — WO claimed
CN-1356985-A Pyrazole carboxanilide fungicide BAYER AG (DE) 2002-07-03 — — CN claimed
US-6369093-B1 Pyrazole carboxanilide fungicide BAYER AKTIENGESELLSCHAFT (DE) 2002-04-09 — — US claimed
EP-1161420-A2 FUNGICIDAL PYRAZOLE CARBOXANILIDES Bayer Aktiengesellschaft (DE) 2001-12-12 — — EP claimed
WO-2000014071-A2 PYRAZOLE CARBOXANILIDE FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2000-03-16 — — WO claimed

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-20140128617-A1 METHOD FOR PRODUCING PYRAZOLYLCARBOXANILIDES CYP3A4, AADAC, PPOX ELANE 2868/4885TAAR1 4091/4885SMN1; SMN2 4257/4885

“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.