SCHEMBL13629590

SCHEMBL13629590

COc1ccc(-c2nc(C)cs2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
RAB9A P51151 7/20 0.56
MAPT P10636 7/20 0.56
NPC1 O15118 5/20 0.56
LMNA P02545 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7056688 0.81 ALDH1A1 (0.48) KDM4ERAB9AMAPTNPC1LMNA
SCHEMBL10029581 0.78 KDM4E (0.81) KDM4ERAB9AMAPTNPC1LMNA
SCHEMBL25873252 0.77 CYP2E1 (0.46) KDM4ERAB9AMAPTNPC1LMNA
SCHEMBL11263632 0.77 ACHE (0.44) KDM4EMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL25872960 0.77 CYP2E1 (0.46) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL16549550 0.77 CYP3A4 (0.50) KDM4EMAPTLMNAALDH1A1TDP1
SCHEMBL7453408 0.77 CYP3A4 (0.46) KDM4ERAB9AMAPTNPC1LMNA
SCHEMBL20156028 0.77 CYP3A4 (0.53) KDM4ERAB9AMAPTNPC1L3MBTL1
SCHEMBL8198560 0.76 CYP3A4 (0.60) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL2096148 0.76 MAPT (0.61) KDM4ERAB9AMAPTNPC1ALDH1A1

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
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
WO-2018138692-A1 NOVEL FUNGICIDAL CARBAMATE COMPOUNDS INSECTICIDES (INDIA) LIMITED (IN) 2018-08-02 WO disclosed
US-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
US-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
US-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
US-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-21 US disclosed
US-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-21 US disclosed
US-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-21 US disclosed
EP-3040332-A1 TETRAZOLINONE COMPOUND AND USE OF SAME Sumitomo Chemical Company, Limited (JP) 2016-07-06 EP disclosed
EP-3040332-A1 TETRAZOLINONE COMPOUND AND USE OF SAME Sumitomo Chemical Company, Limited (JP) 2016-07-06 EP disclosed
WO-2015030217-A1 TETRAZOLINONE COMPOUND AND USE OF SAME 住友化学株式会社 (JP) 2015-03-05 WO disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 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 (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-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, UQCRB, RPS20 KDM4E 3329/4885RAB9A 475/4885MAPT 3897/4885

“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.