SCHEMBL3637019

SCHEMBL3637019

Cc1nn(C)c(Oc2cccc(Cl)c2)c1C=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
CYP2C19 P33261 2/20 1.00
CYP2C9 P11712 1/20 1.00
SMN1; SMN2 Q16637 2/20 0.71
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 3/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PTGER4 P35408 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 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
SCHEMBL31019735 0.86 CYP1A2 (0.75) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL24162675 0.84 CYP1A2 (0.73) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL2071589 0.83 SMN1; SMN2 (1.00) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL9672301 0.83 SMN1; SMN2 (0.74) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL876603 0.83 SMN1; SMN2 (0.73) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL9545487 0.83 CYP1A2 (0.70) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL15057794 0.79 SMN1; SMN2 (0.67) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL24162679 0.79 SMN1; SMN2 (0.67) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL876428 0.78 KDM4E (0.72) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL12732952 0.77 CYP1A2 (0.63) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348448-A1 PYRAZOLE ACYLHYDRAZONE CONTAINING TRIFLUOROMETHYLTHIADIAZOLE UNITS, PREPARATION METHOD AND USE THEREOF NANTONG UNIVERSITY (CN) 2023-11-02 US disclosed
US-20230348448-A1 PYRAZOLE ACYLHYDRAZONE CONTAINING TRIFLUOROMETHYLTHIADIAZOLE UNITS, PREPARATION METHOD AND USE THEREOF NANTONG UNIVERSITY (CN) 2023-11-02 US disclosed
WO-2022002193-A1 PREPARATION METHOD FOR AND APPLICATION OF PYRAZOLE ACYLHYDRAZONE CONTAINING TRIFLUOROMETHYL THIADIAZOLE UNIT 南通大学 2022-01-06 WO disclosed
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
CN-101687790-B Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBVIE INC 2015-02-11 CN disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 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 (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-20230348448-A1 PYRAZOLE ACYLHYDRAZONE CONTAINING TRIFLUOROMETHYLTHIADIAZOLE UNITS, PREPARATION METHOD AND USE THEREOF AADAC, DDT, MLYCD CYP1A2 1494/4885CYP2C19 1684/4885CYP2C9 854/4885
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 CYP1A2 1751/4885CYP2C19 2357/4885CYP2C9 3498/4885

“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.