SCHEMBL3836008

SCHEMBL3836008

O=c1[nH]c(-c2ccc(Cl)cc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
BRD4 O60885 7/20 0.67
SMN1; SMN2 Q16637 1/20 0.66
MAPT P10636 4/20 0.61
KMT2A Q03164 3/20 0.61
IDO1 P14902 3/20 0.61
MEN1 O00255 2/20 0.61
RAB9A P51151 2/20 0.61
POLB P06746 1/20 0.61
PPARG P37231 1/20 0.61
NCOA2 Q15596 1/20 0.61
NCOA1 Q15788 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
GCGR P47871 1/20 0.46
NOTUM Q6P988 1/20 0.42
PDE10A Q9Y233 2/20 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
SCHEMBL16414580 0.80 BRD4 (0.67) ALDH1A1BRD4SMN1; SMN2MAPTKMT2A
SCHEMBL16415205 0.80 SMN1; SMN2 (0.92) ALDH1A1BRD4SMN1; SMN2IDO1KDM4E
SCHEMBL15351982 0.80 BRD4 (0.67) ALDH1A1BRD4SMN1; SMN2MAPTKMT2A
SCHEMBL16414517 0.80 BRD4 (0.67) ALDH1A1BRD4SMN1; SMN2MAPTKMT2A
SCHEMBL957329 0.79 SMN1; SMN2 (1.00) ALDH1A1BRD4SMN1; SMN2MAPTIDO1
SCHEMBL28384762 0.76 ALDH1A1 (1.00) ALDH1A1BRD4SMN1; SMN2MAPTKMT2A
SCHEMBL2491364 0.76 BRD4 (0.61) ALDH1A1BRD4SMN1; SMN2MAPTKMT2A
SCHEMBL16414609 0.76 BRD4 (0.61) ALDH1A1BRD4SMN1; SMN2MAPTKMT2A
SCHEMBL16414469 0.76 BRD4 (0.61) ALDH1A1BRD4SMN1; SMN2MAPTKMT2A
Bromide SCHEMBL9518983 0.75 ALDH1A1 (0.60) ALDH1A1BRD4SMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077254-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-09-18 US disclosed
EP-3059233-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2017-12-20 EP disclosed
EP-3059233-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2017-12-20 EP disclosed
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
EP-3059233-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-08-24 EP disclosed
EP-3059233-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-08-24 EP disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
CN-105636955-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2016-06-01 CN disclosed
WO-2015056811-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME 住友化学株式会社 2015-04-23 WO disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed
US-7067537-B2 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-27 US disclosed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 US disclosed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP disclosed
US-4061637-A CNS, CARDIOVASCULAR, ANTIINFLAMMATORY, ADRENOLYTIC, ANTIULCER ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1977-12-06 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 (4 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 ALDH1A1 118/4885BRD4 1052/4885SMN1; SMN2 4849/4885
US-10077254-B2 Tetrazolinone compound and use thereof MT-CO1, UQCRB, MT-CO2 ALDH1A1 1465/4885BRD4 2559/4885SMN1; SMN2 1886/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 ALDH1A1 1716/4885BRD4 1822/4885SMN1; SMN2 4085/4885
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, UQCRB, MT-CO2 ALDH1A1 1465/4885BRD4 2559/4885SMN1; SMN2 1886/4885

“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.