SCHEMBL2071589

SCHEMBL2071589

Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 1.00
CYP1A2 P05177 4/20 0.71
CYP2C19 P33261 4/20 0.71
CYP2C9 P11712 2/20 0.71
KDM4E B2RXH2 2/20 0.60
MAPT P10636 2/20 0.60
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
GPR55 Q9Y2T6 1/20 0.40
FPR2 P25090 2/20 0.39
PROKR1 Q8TCW9 2/20 0.39
HPGD P15428 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
ENPP3 O14638 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
SCHEMBL9673792 0.87 SMN1; SMN2 (0.76) SMN1; SMN2CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL13243006 0.85 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL9673128 0.85 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL9672301 0.85 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL876603 0.85 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL13243011 0.84 SMN1; SMN2 (0.72) SMN1; SMN2CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL3637019 0.83 CYP1A2 (1.00) SMN1; SMN2CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL9674425 0.82 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL9674423 0.82 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL13243038 0.81 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C19CYP2C9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357226-A1 PREPARATION METHOD AND USE OF PYRAZOLE COMPOUND CONTAINING 1-(3,4-DIMETHOXYPHENYL)-BETA-CARBOLINE UNIT NANTONG UNIVERSITY (CN) 2023-11-09 US disclosed
US-20230357226-A1 PREPARATION METHOD AND USE OF PYRAZOLE COMPOUND CONTAINING 1-(3,4-DIMETHOXYPHENYL)-BETA-CARBOLINE UNIT NANTONG UNIVERSITY (CN) 2023-11-09 US 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
US-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US 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
US-20060264496-A1 Substituted indoline and indole derivatives H. LUNDBECK A/S (DK) 2006-11-23 US disclosed
WO-2004082677-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-30 WO disclosed
EP-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP disclosed
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO disclosed
EP-0361827-B1 PYRAZOLE COMPOUNDS, METHOD FOR PRODUCTION THEREOF, USE THEREOF AND INTERMEDIATES FOR PRODUCTION THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-12-16 EP disclosed
EP-0234045-B1 A PYRAZOLE OXIME DERIVATIVE AND ITS PRODUCTION AND USE NIHON NOHYAKU CO., LTD. (JP) 1992-09-02 EP disclosed
US-5028714-A Chemical intermediate for fungicide, miticide, insecticide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-02 US disclosed
US-4980345-A INSECTICIDES, ACARICIDES, FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-25 US disclosed
EP-0361827-A1 Pyrazole compounds, method for production thereof, use thereof and intermediates for production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-04-04 EP disclosed
US-4843068-A INSECTICIDES, MITICIDES, FUNGICIDES NIHON NOHYAKU CO., LTD. (JP) 1989-06-27 US disclosed
EP-0234045-A2 A pyrazole oxime derivative and its production and use NIHON NOHYAKU CO., LTD. (JP) 1987-09-02 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 (3 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-20230357226-A1 PREPARATION METHOD AND USE OF PYRAZOLE COMPOUND CONTAINING 1-(3,4-DIMETHOXYPHENYL)-BETA-CARBOLINE UNIT DDC, AADAC, CDK7 SMN1; SMN2 3362/4885CYP1A2 599/4885CYP2C19 425/4885
US-20060264496-A1 Substituted indoline and indole derivatives IDO1, IDO2, INMT SMN1; SMN2 3318/4885CYP1A2 23/4885CYP2C19 34/4885
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 SMN1; SMN2 1228/4885CYP1A2 1751/4885CYP2C19 2357/4885

“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.