SCHEMBL1861757

SCHEMBL1861757

Cc1cccc(NC=O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.55
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ GRM5 P41594 5/20 0.49
▸ CCR1 P32246 1/20 0.48
▸ CCR8 P51685 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ FDPS P14324 1/20 0.47
▸ FDFT1 P37268 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ GBA1 P04062 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL11712255 1.00 RAB9A (0.55) RAB9AMEN1KMT2AGRM5CCR1
SCHEMBL18891533 0.84 ALDH1A1 (0.44) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL27665125 0.80 RAB9A (0.52) RAB9AMEN1KMT2AGRM5CCR1
SCHEMBL14182349 0.79 KMT2A (0.50) RAB9AMEN1KMT2AGRM5CCR1
SCHEMBL7984520 0.75 FFAR2 (0.40) MEN1KMT2AGRM5ALDH1A1
SCHEMBL21159432 0.75 ALDH1A1 (0.49) MEN1KMT2AGRM5ALDH1A1HPGD
SCHEMBL13723366 0.75 XIAP (0.50) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL16332952 0.75 GRM5 (0.39) MEN1KMT2AGRM5ALDH1A1KDM4E
SCHEMBL229747 0.75 RAB9A (0.59) RAB9AMEN1KMT2AGRM5CCR1
SCHEMBL15626076 0.75 SYK (0.37) RAB9AMEN1KMT2AALDH1A1KDM4E

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
US-20200062710-A1 Method For Producing 3-(Pyridyl-2-Amino)Propionitrile And Analogues Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-02-27 — — US disclosed
EP-3553051-A1 METHOD FOR PRODUCING 3-(PYRIDYL-2-AMINO)PROPIONITRILE AND ANALOGUES THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2019-10-16 — — EP disclosed
CN-101977504-B Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE SA 2014-11-26 — — CN disclosed
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 — — US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 — — US disclosed
CN-101977504-A Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE SA 2011-02-16 — — CN disclosed
EP-2265118-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2010-12-29 — — EP disclosed
WO-2009115557-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-09-24 — — WO disclosed
US-6469003-B1 COMPOUNDS HAVING CELL ADHESION INHIBITING ACTIVITY NIHON NOHYAKU CO., LTD. (JP) 2002-10-22 — — US disclosed
EP-1130015-A1 PYRIDAZINONE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2001-09-05 — — EP 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 (2 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-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD RAB9A 3680/4885MEN1 1827/4885KMT2A 736/4885
US-20200062710-A1 Method For Producing 3-(Pyridyl-2-Amino)Propionitrile And Analogues Thereof PDXK, PAH, PNPO RAB9A 3202/4885MEN1 142/4885KMT2A 3124/4885

“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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