SCHEMBL12643752

SCHEMBL12643752

Nc1ccc(CNC(=O)NNC(=O)NCc2ccc(N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
PPID Q08752 5/20 0.57
PPIB P23284 4/20 0.57
PPIG Q13427 2/20 0.57
PPIA P62937 1/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX2 P34913 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
TPSAB1 Q15661 2/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
NPC1 O15118 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL972153 0.93 PPID (0.55) EPHX1PPIDPPIBPPIGPPIA
SCHEMBL15939528 0.91 PPID (0.65) EPHX1PPIDPPIBPPIGPPIA
SCHEMBL15314752 0.86 PPID (0.56) EPHX1PPIDPPIBPPIGPPIA
SCHEMBL12643755 0.84 SMN1; SMN2 (0.68) EPHX1PPIDPPIBPPIGPPIA
SCHEMBL19882140 0.84 PPID (0.58) EPHX1PPIDPPIBPPIGPPIA
SCHEMBL972081 0.83 GAA (0.56) EPHX1PPIDPPIBPPIGPPIA
SCHEMBL258716 0.83 CYP2C9 (0.62) EPHX1PPIDPPIBPPIGPPIA
SCHEMBL11574889 0.82 NPC1 (0.69) MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL15652114 0.82 PPID (0.65) EPHX1PPIDPPIBPPIGPPIA
SCHEMBL15939579 0.81 EPHX1 (0.69) EPHX1PPIDPPIBPPIGPPIA

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 6 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
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 WO 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 EPHX1 645/4885PPID 73/4885PPIB 51/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 EPHX1 645/4885PPID 73/4885PPIB 51/4885

“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.