SCHEMBL17616629

SCHEMBL17616629

Cc1ccc(OCc2ccccc2-n2nn[nH]c2=O)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
HPGD P15428 5/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALPL P05186 1/20 0.38
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL17616628 0.89 L3MBTL1 (0.41) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL17616577 0.88 L3MBTL1 (0.39) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL16273767 0.88 HSP90AA1 (0.37) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17616571 0.87 MRGPRX4 (0.40) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL16920847 0.85 MAPT (0.37) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL17616580 0.84 FFAR1 (0.37) MAPTALDH1A1TP53LMNA
SCHEMBL17616600 0.82 MAPT (0.34) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16273646 0.81 HSP90AA1 (0.42) MAPTMEN1KMT2AMAPK1
SCHEMBL17616576 0.81 L3MBTL1 (0.43) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL16273645 0.80 HSP90AA1 (0.39)

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 2985/4885HPGD 4608/4885NPC1 3262/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MAPT 3398/4885HPGD 4259/4885NPC1 2670/4885

“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.