SCHEMBL16385309

SCHEMBL16385309

Cc1cc(-c2ncccn2)c(C)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
ALOX12 P18054 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
G6PD P11413 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
CCR6 P51684 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM1A O60341 3/20 0.37
GAA P10253 2/20 0.36

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
SCHEMBL16385169 0.77 KDM4E (0.47) ALDH1A1MAPTALOX12KDM4ECYP1A2
SCHEMBL4388616 0.77 KDM4E (0.68) ALDH1A1MAPTALOX12KDM4ECYP1A2
SCHEMBL30693660 0.77 KDM4E (0.68) ALDH1A1MAPTALOX12KDM4ECYP1A2
SCHEMBL16067361 0.72 CLK4 (0.38) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL31336808 0.72 CYP19A1 (0.35) ALDH1A1MAPTALOX12KDM4ECYP1A2
SCHEMBL70123 0.71 MAPT (0.75) ALDH1A1MAPTALOX12KDM4ECYP1A2
SCHEMBL31545845 0.70 ALDH1A1 (0.75) ALDH1A1MAPTALOX12KDM4ECYP1A2
SCHEMBL16385167 0.69 HSD17B1 (0.52) CYP3A4CYP2D6CYP2C19HTTSLC6A2
SCHEMBL16787396 0.69 CYP19A1 (0.60) ALDH1A1MAPTALOX12KDM4EHPGD
SCHEMBL12117630 0.69 S1PR1 (0.49) KDM1ACYP19A1HTTSLC6A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
WO-2015005499-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2015-01-15 WO 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-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SOD1, UQCRB, MT-CO1 ALDH1A1 1192/4885MAPT 3902/4885ALOX12 4219/4885

“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.