SCHEMBL17616601

SCHEMBL17616601

Cc1ccc(OCc2ccccc2N=C=O)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
HPGD P15428 6/20 0.45
L3MBTL1 Q9Y468 6/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
TDP1 Q9NUW8 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 5/20 0.43
HTT P42858 3/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 3/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
PRKAG1 P54619 1/20 0.40

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
SCHEMBL17616643 0.87 L3MBTL1 (0.43) MAPTHPGDL3MBTL1NPC1RAB9A
SCHEMBL16273623 0.86 ALDH1A1 (0.38) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL17616646 0.86 L3MBTL1 (0.45) MAPTHPGDL3MBTL1TDP1SMN1; SMN2
SCHEMBL17616645 0.85 MRGPRX4 (0.45) MAPTHPGDL3MBTL1NPC1RAB9A
SCHEMBL16920902 0.84 MAPT (0.42) MAPTHPGDL3MBTL1NPC1RAB9A
SCHEMBL17616588 0.81 FFAR1 (0.41) HPGDL3MBTL1KDM4EFFAR4
SCHEMBL17616618 0.80 CYP3A4 (0.42) MAPTHPGDRAB9ATDP1ALDH1A1
SCHEMBL16273619 0.78 FFAR4 (0.41) FFAR4
SCHEMBL16273632 0.77 CYP3A4 (0.37) MAPTHPGDRAB9ATDP1ALDH1A1
SCHEMBL16273629 0.75 GABRA1 (0.40) MAPTHPGDL3MBTL1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 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 (2 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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 MAPT 2985/4885HPGD 4608/4885L3MBTL1 170/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MAPT 3398/4885HPGD 4259/4885L3MBTL1 458/4885

“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.