Sugi Predict

Sugi Predict / Compounds / SCHEMBL9908233

SCHEMBL9908233

SCHEMBL9908233

CC(C)Nc1ncccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2C19 P33261 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ TRPM8 Q7Z2W7 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL17198314 0.80 ALDH1A1 (0.44) ALDH1A1GAACYP2C19LMNARAB9A
SCHEMBL13562933 0.78 FDPS (0.59) CYP2C19LRRK2RAB9AKMT2ANPC1
SCHEMBL18934398 0.78 LRRK2 (0.45) ALDH1A1LRRK2IDO1LMNARAB9A
SCHEMBL9909388 0.77 — —
SCHEMBL28794316 0.77 GPR55 (0.48) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL17131638 0.76 LRRK2 (0.40) ALDH1A1LRRK2IDO1LMNAHPGD
SCHEMBL13562934 0.76 SMN1; SMN2 (0.42) ALDH1A1LRRK2IDO1LMNARAB9A
SCHEMBL16334332 0.76 LRRK2 (0.40) ALDH1A1LRRK2IDO1LMNARAB9A
SCHEMBL11951649 0.76 LRRK2 (0.40) ALDH1A1LRRK2IDO1LMNARAB9A
SCHEMBL104084 0.76 IDO1 (0.51) ALDH1A1LRRK2IDO1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017093214-A1 MESOIONIC HALOGENATED 3-(ACETYL)-1-[(1,3-THIAZOL-5-YL)METHYL]-1H-IMIDAZO[1,2-A]PYRIDIN-4-IUM-2-OLATE DERIVATIVES AND RELATED COMPOUNDS AS INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 — — WO disclosed
US-9596856-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 — — US disclosed
US-20160066577-A1 MESOIONIC PESTICIDES FMC CORPORATION 2016-03-10 — — US disclosed
US-9210932-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-12-15 — — US disclosed
US-20140206536-A1 MESOIONIC PESTICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-24 — — US disclosed
US-8722690-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 — — US disclosed
US-8420689-B2 Cannabinoid receptor ligands, pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2013-04-16 — — US disclosed
US-20120277100-A1 MESOIONIC PESTICIDES FMC CORPORATION 2012-11-01 — — US disclosed
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-07 — — US disclosed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 — — US disclosed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 — — US disclosed
EP-2033951-A2 2-Piperazine-pyridines useful for treating pain EURO-CELTIQUE S.A. (LU) 2009-03-11 — — EP disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 — — US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 — — US 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 (5 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-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION CNR1, CNR2, GPR18 ALDH1A1 4036/4885GAA 3278/4885CYP2C19 1917/4885
US-20140206536-A1 MESOIONIC PESTICIDES CHRM3, CHRM2, CHRM5 ALDH1A1 2509/4885GAA 4728/4885CYP2C19 2853/4885
US-20160066577-A1 MESOIONIC PESTICIDES CHRM3, CHRM2, CHRM5 ALDH1A1 2509/4885GAA 4728/4885CYP2C19 2853/4885
US-20120277100-A1 MESOIONIC PESTICIDES CHRM3, CHRM2, CHRM5 ALDH1A1 2483/4885GAA 4738/4885CYP2C19 2857/4885
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 ALDH1A1 4446/4885GAA 1738/4885CYP2C19 2586/4885

“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.