SCHEMBL17616645

SCHEMBL17616645

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
ATM Q13315 1/20 0.45
NPC1 O15118 4/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL17616643 0.87 L3MBTL1 (0.43) MRGPRX4MAPTRAB9AL3MBTL1NPC1
SCHEMBL17616649 0.86 FFAR1 (0.39) MRGPRX4MAPTRAB9ANPC1HPGD
SCHEMBL16273633 0.86 MRGPRX4 (0.46) MRGPRX4MAPTRAB9ANPC1HPGD
SCHEMBL17616646 0.86 L3MBTL1 (0.45) MAPTL3MBTL1HPGDSMN1; SMN2CYP3A4
SCHEMBL16920906 0.85 MRGPRX4 (0.45) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL19987554 0.85 MRGPRX4 (0.41) MRGPRX4MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL17616620 0.85 MRGPRX4 (0.40) MRGPRX4MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL17616601 0.85 MAPT (0.45) MAPTRAB9AL3MBTL1NPC1HPGD
SCHEMBL16920901 0.84 MRGPRX4 (0.47) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL16920913 0.84 MRGPRX4 (0.47) MRGPRX4MAPTRAB9AL3MBTL1ATM

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 1910/4885MAPT 2985/4885RAB9A 354/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MRGPRX4 2185/4885MAPT 3398/4885RAB9A 3212/4885

“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.