SCHEMBL18546293

SCHEMBL18546293

Cc1cccc(-n2nnn(C)c2=O)c1Br

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 3/20 0.42
MGLL Q99685 1/20 0.33
TRPC5 Q9UL62 1/20 0.32
PDE7A Q13946 2/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
NFE2L2 Q16236 2/20 0.31
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16425569 0.83 OPRM1 (0.42) HCAR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL15856642 0.83 ALDH1A1 (0.45) MGLLALDH1A1TSHRMEN1KMT2A
SCHEMBL15352370 0.81 ELANE (0.33) MGLL
SCHEMBL18546250 0.81 GABRA1 (0.47) HCAR1MGLLTRPC5TSHRMEN1
SCHEMBL17986274 0.81 ELANE (0.33) MGLL
SCHEMBL15352598 0.81 JAK2 (0.43) HCAR1MGLLPDE7ANFE2L2GSK3A
SCHEMBL18037172 0.81 ALDH1A1 (0.41) MGLLALDH1A1TSHRKMT2AGSK3B
SCHEMBL18504502 0.81 ALDH1A1 (0.34) MGLLALDH1A1TSHRNFE2L2MEN1
SCHEMBL31398191 0.79
SCHEMBL19994311 0.78 NFE2L2 (0.35) MGLLALDH1A1TSHRNFE2L2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108409678-B Process for producing tetrazolinone compound 住友化学株式会社 2021-04-27 CN disclosed
US-9822085-B2 Method for producing tetrazolinone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-21 US disclosed
US-9822085-B2 Method for producing tetrazolinone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-21 US disclosed
US-9822085-B2 Method for producing tetrazolinone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-21 US disclosed
US-20170057935-A1 METHOD FOR PRODUCING TETRAZOLINONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-02 US disclosed
US-20170057935-A1 METHOD FOR PRODUCING TETRAZOLINONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-02 US disclosed
US-20170057935-A1 METHOD FOR PRODUCING TETRAZOLINONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-02 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-20170057935-A1 METHOD FOR PRODUCING TETRAZOLINONE COMPOUND CYP2F1, F12, XDH HCAR1 2143/4885MGLL 2721/4885TRPC5 4273/4885

“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.