SCHEMBL15832161

SCHEMBL15832161

CCc1ccc(N(C)C(=O)CNC(=O)NCc2ccc(N)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 5/20 0.79
▸ PPID Q08752 9/20 0.59
▸ PPIG Q13427 2/20 0.59
▸ PPIA P62937 1/20 0.59
▸ HDAC1 Q13547 5/20 0.43
▸ HDAC2 Q92769 5/20 0.43
▸ HDAC10 Q969S8 5/20 0.43
▸ HDAC8 Q9BY41 5/20 0.43
▸ HDAC6 Q9UBN7 5/20 0.43
▸ EPHX1 P07099 1/20 0.41
▸ HDAC3 O15379 4/20 0.40
▸ HDAC4 P56524 4/20 0.40
▸ HDAC7 Q8WUI4 4/20 0.40
▸ HDAC11 Q96DB2 4/20 0.40
▸ HDAC9 Q9UKV0 4/20 0.40
▸ HDAC5 Q9UQL6 4/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL12643950 0.88 PPIB (1.00) PPIBPPIDPPIGPPIAEPHX1
SCHEMBL15834714 0.88 PPIB (0.62) PPIBPPIDPPIGPPIAHDAC1
SCHEMBL12643848 0.86 PPIB (1.00) PPIBPPIDPPIGPPIAHDAC1
SCHEMBL16270327 0.76 PPIB (0.79) PPIBPPIDPPIGMEN1KMT2A
SCHEMBL15832178 0.76 PPIB (0.77) PPIBPPIDPPIGPPIAEPHX2
SCHEMBL15939528 0.75 PPID (0.65) PPIBPPIDPPIGPPIAEPHX1
SCHEMBL16270317 0.75 PPIB (0.80) PPIBMEN1KMT2A
SCHEMBL14617679 0.75 PPIB (0.58) PPIBPPIDPPIGPPIAHDAC1
SCHEMBL12643766 0.74 PPIB (0.71) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL2044119 0.74 PPID (1.00) PPIBPPIDPPIGPPIAEPHX1

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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 — — 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 PPIB 51/4885PPID 73/4885PPIG 28/4885

“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.

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