SCHEMBL17616620

SCHEMBL17616620

Cc1cc(Cl)c(OCc2ccccc2N=C=O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.40
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TP53 P04637 2/20 0.37
HTT P42858 2/20 0.37
CYP3A4 P08684 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
TRPA1 O75762 1/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL17616649 0.94 FFAR1 (0.39) MRGPRX4FFAR1FFAR4TP53HTT
SCHEMBL17616598 0.94 FFAR4 (0.41) MRGPRX4FFAR1FFAR4TP53HTT
SCHEMBL16273628 0.86 MRGPRX4 (0.40) MRGPRX4FFAR1FFAR4TP53HTT
SCHEMBL17616645 0.85 MRGPRX4 (0.45) MRGPRX4FFAR1FFAR4TP53HTT
SCHEMBL17677487 0.85 MRGPRX4 (0.45) MRGPRX4TP53HTTPTGDR2HDAC8
SCHEMBL16273627 0.84 FFAR4 (0.41) MRGPRX4FFAR1FFAR4TP53HTT
SCHEMBL17616618 0.82 CYP3A4 (0.42) MRGPRX4FFAR1FFAR4CYP3A4PTGDR2
SCHEMBL17788219 0.81 GABRA1 (0.41) MRGPRX4FFAR1FFAR4HTTCYP3A4
SCHEMBL16273633 0.81 MRGPRX4 (0.46) MRGPRX4FFAR1FFAR4TP53HTT
SCHEMBL19987554 0.80 MRGPRX4 (0.41) MRGPRX4FFAR1FFAR4GABRA1GABRB2

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 MRGPRX4 1910/4885FFAR1 1450/4885FFAR4 2605/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MRGPRX4 2185/4885FFAR1 1556/4885FFAR4 2020/4885

“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.