SCHEMBL17616640

SCHEMBL17616640

Cc1ccc(OCc2ccccc2N)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
L3MBTL1 Q9Y468 7/20 0.51
HPGD P15428 6/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
TDP1 Q9NUW8 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
PRKAG1 P54619 1/20 0.45
PRKAA1 Q13131 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45

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
SCHEMBL17616639 0.84 L3MBTL1 (0.49) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL16273709 0.83 F2 (0.40) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17616638 0.82 L3MBTL1 (0.50) MAPTL3MBTL1TDP1SMN1; SMN2ALDH1A1
SCHEMBL17616592 0.82 L3MBTL1 (0.51) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL16920882 0.79 MAPT (0.47) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL20425118 0.79 MEN1 (0.45) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL17616594 0.78 FFAR1 (0.43) MAPTTDP1SMN1; SMN2ALDH1A1HTT
SCHEMBL1855654 0.78 MAPT (0.56) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL17616619 0.77 MAPT (0.48) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL17616656 0.77 FOLH1 (0.59) MAPTL3MBTL1HPGDNPC1RAB9A

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 4 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
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 2985/4885L3MBTL1 170/4885HPGD 4608/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MAPT 3398/4885L3MBTL1 458/4885HPGD 4259/4885

“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.