SCHEMBL20042462

SCHEMBL20042462

COc1ccc(C(F)(F)F)cc1NC=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 5/20 0.47
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
HTR6 P50406 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KIF11 P52732 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL5468286 0.84 MAPT (0.54) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL2755833 0.80 DDB1 (0.49) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL7563968 0.78 MAPT (0.50) KDM4EALDH1A1HPGDCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL29072709 0.78 DDB1 (0.48) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL2199851 0.78 DDB1 (0.48) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL20655718 0.77 DDB1 (0.47) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL6114199 0.75 MAPT (0.51) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL5468285 0.74 DDB1 (0.48) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL31440788 0.74 KMT2A (0.61) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL7531647 0.73 DHFR (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9

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-20180099937-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-12 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-20180099937-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS SMYD2, SETD2, SMYD3 KDM4E 115/4885ALDH1A1 3893/4885HPGD 2065/4885

“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.