SCHEMBL23910100

SCHEMBL23910100

COc1cc(-c2ccc(N)cc2C#N)cc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
AR P10275 4/20 0.36
GAA P10253 4/20 0.36
PGR P06401 3/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CYP3A4 P08684 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GLA P06280 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
XDH P47989 1/20 0.33
PTGS2 P35354 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33

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
SCHEMBL20329866 0.87 CYP3A4 (0.37) KDM4EALDH1A1USP2ARALOX5AP
SCHEMBL20329371 0.76 AAK1 (0.49) KDM4EALDH1A1USP2GAACYP3A4
SCHEMBL23910018 0.76 CYP3A4 (0.47) KDM4EALDH1A1USP2GAAALOX5AP
SCHEMBL23916000 0.75 KDM4E (0.46) KDM4EALDH1A1USP2ARGAA
SCHEMBL23916421 0.74 KDM4E (0.34) KDM4EGAAHSD17B10PTGS2NT5E
SCHEMBL21071606 0.73 ALOX5AP (0.46) GAAALOX5APFEN1GLAXDH
SCHEMBL20329653 0.73 KDM4E (0.49) KDM4EALDH1A1USP2
SCHEMBL23915975 0.72 AR (0.53) KDM4EALDH1A1USP2ARGAA
SCHEMBL23916514 0.72 AR (0.56) KDM4EALDH1A1USP2ARGAA
SCHEMBL23909977 0.72 KDM4E (0.49) KDM4EALDH1A1USP2ARGAA

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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 KDM4E 4547/4885ALDH1A1 485/4885USP2 3984/4885

“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.