SCHEMBL17811668

SCHEMBL17811668

Cc1ccc(OCc2c(C)cccc2-n2nnn(C)c2=O)nc1Cl

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
PKM P14618 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL17811666 0.89 PPARG (0.34) HTR1ADRD2HTR2APKMCYP1A2
SCHEMBL16205952 0.87 HTR1A (0.32) HTR1ADRD2HTR2ACYP1A2CYP3A4
SCHEMBL17811676 0.86 CYP3A4 (0.32) PKMCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16437186 0.84 PKM (0.32) PKMCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17811669 0.84 RXRA (0.31) HTR1ADRD2HTR2ACYP3A4CYP2C9
SCHEMBL16205987 0.83 HTR7 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17811677 0.83 NR1H4 (0.34)
SCHEMBL17811640 0.83 MAPT (0.34)
SCHEMBL16206027 0.83 CYP11B1 (0.34)
SCHEMBL16206094 0.83 MAPT (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 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 (1 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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 HTR1A 1527/4885DRD2 2140/4885HTR2A 3784/4885

“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.