SCHEMBL23910089

SCHEMBL23910089

CCC(F)(F)c1ccc(N)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
AR P10275 12/20 0.42
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL30084901 0.80 GLA (0.55) KDM4EALDH1A1USP2ARLMNA
SCHEMBL324114 0.80 GLA (0.55) KDM4EALDH1A1USP2ARLMNA
SCHEMBL30279017 0.77 KDM4E (0.52) KDM4EALDH1A1USP2ARLMNA
SCHEMBL397540 0.77 KDM4E (0.52) KDM4EALDH1A1USP2ARLMNA
SCHEMBL29844216 0.75 AR (0.44) ARTSHR
SCHEMBL2816728 0.74 KDM4E (0.49) KDM4EALDH1A1USP2ARLMNA
SCHEMBL23915999 0.71 ALOX5AP (0.39) KDM4EALDH1A1USP2MAPTHPGD
SCHEMBL15319981 0.70 KDM4E (0.49) KDM4EALDH1A1USP2ARGAA
SCHEMBL110567 0.69 AR (0.56) ARGAAGLAPOLBTSHR
SCHEMBL31125095 0.69 KDM4E (0.52) KDM4EALDH1A1USP2ARLMNA

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 1 patent. 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

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.