SCHEMBL17616636

SCHEMBL17616636

Cc1cc(C)c(OCc2ccccc2N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
MPO P05164 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHFR P00374 2/20 0.36
DCPS Q96C86 1/20 0.36
APP P05067 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PKM P14618 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL17616634 0.87 ALDH1A1 (0.39) MCL1MPOSLC6A4MAPTTDP1
SCHEMBL16273712 0.87 MRGPRX4 (0.40) MCL1MPOMRGPRX4LMNAMAPT
SCHEMBL17788191 0.82 MRGPRX4 (0.41) MCL1MPOMRGPRX4SLC6A2SLC6A4
SCHEMBL17616585 0.82 FFAR1 (0.42) MPOMRGPRX4SLC6A2SLC6A4HTT
SCHEMBL17788183 0.81 MRGPRX4 (0.42) MRGPRX4SLC6A2SLC6A4MAPTTDP1
SCHEMBL16273701 0.79 PTGDR2 (0.39) MAPTKDM4EPTGDR2PKMALDH1A1
SCHEMBL21318001 0.79 PTGDR2 (0.39) MPOSLC6A2SLC6A4MAPTKDM4E
SCHEMBL17616639 0.78 L3MBTL1 (0.49) MRGPRX4SLC6A4LMNAMAPTTDP1
SCHEMBL17616641 0.78 MRGPRX4 (0.36) MCL1MPOMRGPRX4LMNAMAPT
SCHEMBL17616617 0.77 MRGPRX4 (0.55) MCL1MRGPRX4HTTPTGDR2ALDH1A1

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 MCL1 1885/4885MPO 1180/4885MRGPRX4 1910/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MCL1 1986/4885MPO 161/4885MRGPRX4 2185/4885

“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.