SCHEMBL17811640

SCHEMBL17811640

Cc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccc(Cl)cc2)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
TP53 P04637 1/20 0.33
BRD9 Q9H8M2 1/20 0.32
BRD7 Q9NPI1 1/20 0.32
GABRA5 P31644 6/20 0.32
POLB P06746 1/20 0.31
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
KCNH2 Q12809 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
SCHEMBL17804259 0.92 BRD9 (0.33) BRD9BRD7GABRA5GABRG2GABRB3
SCHEMBL16437199 0.91 FFAR1 (0.35) BRD9BRD7GABRA5
SCHEMBL17804246 0.91 GABRA5 (0.35) MAPTTP53BRD9BRD7GABRA5
SCHEMBL17811643 0.91 GABRA5 (0.39) BRD9BRD7GABRA5GABRG2GABRB3
SCHEMBL17804244 0.90 BRD9 (0.36) MAPTBRD9BRD7
SCHEMBL17804248 0.88 CYP11B2 (0.33) BRD9BRD7GABRA5
SCHEMBL17811641 0.87 BRD9 (0.34) MAPTBRD9BRD7GABRA5
SCHEMBL16206004 0.87 HTR7 (0.33) MAPTTP53GABRA5
SCHEMBL17804254 0.86 PDCD1 (0.34) MAPT
SCHEMBL17796914 0.86 LMNA (0.38) GABRA5

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-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
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
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 MAPT 2890/4885TP53 3929/4885BRD9 3457/4885

“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.