SCHEMBL16385293

SCHEMBL16385293

COc1ccc(-c2cccc(C)n2)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
KDM4E B2RXH2 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
ALOX12 P18054 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
RECQL P46063 1/20 0.53
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
CCR1 P32246 1/20 0.46
CCR8 P51685 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 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
SCHEMBL13680448 0.85 KDM4E (0.58) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL16385162 0.84 RAB9A (0.59) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL28960772 0.82 HDAC8 (0.57) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30102576 0.82 HDAC8 (0.57) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL16385231 0.81 KMO (0.52) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16385165 0.81 ALDH1A1 (0.47) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL15256614 0.81 ALDH1A1 (0.55) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7053613 0.78 HDAC8 (0.47) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL16385227 0.78 CTSS (0.51) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL16385410 0.78 CCR1 (0.48) MAPTKDM4ENPC1RAB9AALDH1A1

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 10 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
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-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
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
EP-3020715-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company Limited (JP) 2016-05-18 EP 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 MAPT 3902/4885KDM4E 3517/4885SMN1; SMN2 2180/4885

“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.