SCHEMBL20042059

SCHEMBL20042059

COc1ccc(C(F)(F)F)cc1N=CC=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
KDM4E B2RXH2 4/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NFE2L2 Q16236 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NQO2 P16083 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 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
SCHEMBL15845875 0.82 MAPT (0.39) MAPTKDM4ERAB9ACYP1A2CYP3A4
SCHEMBL15845865 0.82 MAPT (0.39) MAPTKDM4ERAB9ACYP1A2CYP3A4
SCHEMBL15845863 0.82 MAPT (0.39) MAPTKDM4ERAB9ACYP1A2CYP3A4
SCHEMBL13838711 0.76 MEN1 (0.40) MAPTKDM4EL3MBTL1MEN1KMT2A
SCHEMBL18895798 0.76 CFTR (0.55) MAPTKDM4ECYP2C19KMT2AMAPK1
SCHEMBL20052481 0.76 L3MBTL1 (0.44) MAPTKDM4ERAB9ACYP1A2CYP3A4
SCHEMBL20052480 0.76 L3MBTL1 (0.44) MAPTKDM4ERAB9ACYP1A2CYP3A4
SCHEMBL6118430 0.75 L3MBTL1 (0.44) MAPTKDM4ERAB9ACYP1A2CYP3A4
SCHEMBL12025132 0.72 L3MBTL1 (0.56) MAPTKDM4ERAB9ACYP1A2CYP3A4
SCHEMBL178010 0.72 CYP3A4 (0.50) MAPTKDM4ERAB9ACYP1A2CYP3A4

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 MAPT 1508/4885KDM4E 115/4885RAB9A 3324/4885

“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.