SCHEMBL14643175

SCHEMBL14643175

COc1cccc(CNC(=O)CNC(=O)NCc2ccc(N)cc2)c1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 5/20 0.49
▸ PPID Q08752 4/20 0.49
▸ PPIG Q13427 3/20 0.49
▸ PPIA P62937 1/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GAA P10253 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
SCHEMBL12643702 0.89 PPIB (0.47) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL2041992 0.81 PPIB (0.51) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL12643953 0.78 ALDH1A1 (0.60) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL14576864 0.76 PPIB (0.63) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL12643846 0.73 PPIB (0.59) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL28750716 0.71 HDAC1 (0.77) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL14576313 0.71 PPIB (0.56) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL15939528 0.70 PPID (0.65) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL12643850 0.69 EPHX1 (0.66) PPIBPPIDPPIGPPIA
SCHEMBL12643760 0.68 PPID (0.63) PPIBPPIDPPIGPPIAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516387-B1 INHIBITORS OF CYCLOPHILINS FOR USE IN THE PREVENTION AND/OR THE TREATMENT OF VIRAL PATHOLOGIES OR INFECTIONS INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECH MÉDICALE (INSERM) (FR) 2018-02-21 — — EP disclosed
US-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 — — US disclosed
US-8802666-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-08-12 — — US disclosed
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
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-01-17 — — 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 PPIB 51/4885PPID 73/4885PPIG 28/4885
US-20130018044-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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