SCHEMBL17618058

SCHEMBL17618058

Cc1ccc(NCc2ccc(C(=O)O)cc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 1/20 0.44
RXRA P19793 1/20 0.44
FFAR1 O14842 1/20 0.43
PPARA Q07869 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAOB P27338 1/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL17618059 0.86 HKDC1 (0.53) CA1CA2MAPTSMN1; SMN2KDM4E
SCHEMBL20236858 0.86 MEN1 (0.55) EPHX2NR1H4CA1CA2ALDH1A1
SCHEMBL17618049 0.85 MAPT (0.51) EPHX2NR1H4MAPTKDM4EALDH1A1
SCHEMBL16211464 0.83 EPHX2 (0.57) EPHX2NR1H4CA1CA2FFAR1
SCHEMBL20236454 0.83 EPHX2 (0.48) EPHX2NR1H4CA1CA2MAPT
SCHEMBL20236155 0.83 ALDH1A1 (0.52) EPHX2NR1H4MAPTSMN1; SMN2NPC1
SCHEMBL20236926 0.81 EPHX2 (0.48) EPHX2NR1H4CA1CA2MAPT
SCHEMBL20236333 0.81 CYP3A4 (0.59) EPHX2NR1H4MAPTKDM4ENPC1
SCHEMBL16211512 0.77 PPARA (0.49) EPHX2NR1H4PPARA
SCHEMBL20236899 0.77 NPC1 (0.51) EPHX2NR1H4NPC1ALDH1A1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 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 (2 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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 EPHX2 3005/4885NR1H4 970/4885CA1 689/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 EPHX2 3005/4885NR1H4 970/4885CA1 689/4885

“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.