SCHEMBL3458619

SCHEMBL3458619

O=C1Nc2ccccc2C(=NO)CC1=NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.48
▸ ACVR1 Q04771 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ FER P16591 1/20 0.48
▸ LTK P29376 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ IDO1 P14902 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 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
SCHEMBL9056372 0.81 AHR (0.53) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL9056376 0.81 AHR (0.53) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL16760895 0.74 LRRK2 (0.62) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL1898716 0.74 LRRK2 (0.62) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL1898719 0.74 LRRK2 (0.62) LRRK2ACVR1MAOAMAOBPDGFRA
Hydrochloric Acid SCHEMBL11498808 0.73 LRRK2 (0.61) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL3456349 0.72 NPC1 (0.55) MAOAMAOBALDH1A1CYP1A2CYP2C19
SCHEMBL2217338 0.72 NPC1 (0.55) MAOAMAOBALDH1A1CYP1A2CYP2C19
SCHEMBL8874278 0.71 MAOA (0.62) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL7051810 0.71 MAOA (0.62) LRRK2ACVR1MAOAMAOBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256104-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides Merck Patent GmbH (DE) 2010-12-01 — — EP disclosed
US-7166720-B2 Process for the preparation of α-aminosubstituted carboxylic acid amides MERCK PATENT GESELLSCHAFT (DE) 2007-01-23 — — US disclosed
US-7053211-B2 Process for the preparation of α-aminosubstituted carboxylic acid amides MERCK PATENT GMBH (DE) 2006-05-30 — — US disclosed
US-20040034250-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2004-02-19 — — US disclosed
EP-1345908-A2 PROCESS FOR THE PREPARATION OF ALPHA-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES MERCK PATENT GmbH (DE) 2003-09-24 — — EP disclosed
WO-2002051813-A2 PROCESS FOR THE PREPARATION OF α-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES MERCK PATENT GMBH (DE) 2002-07-04 — — 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-20040034250-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides ASNS, HNMT, NAAA LRRK2 4291/4885ACVR1 1804/4885MAOA 204/4885

“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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