SCHEMBL12643847

SCHEMBL12643847

Nc1ccc(CNC(=O)NCC(=O)NCCN2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 7/20 0.63
▸ GAA P10253 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ EPHX1 P07099 1/20 0.49
▸ NAMPT P43490 2/20 0.48
▸ PPIB P23284 5/20 0.48
▸ PPIG Q13427 4/20 0.48
▸ PPIA P62937 1/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 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
SCHEMBL16270337 0.88 CYP3A4 (0.58) GAASMN1; SMN2NAMPTCYP2D6KMT2A
SCHEMBL15109520 0.81 HRH3 (0.55) GAASMN1; SMN2CYP2D6KMT2AMEN1
SCHEMBL15109525 0.79 GAA (0.54) GAASMN1; SMN2CYP2D6KMT2AMEN1
SCHEMBL2053173 0.79 PPID (0.97) PPIDEPHX1PPIBPPIGPPIA
SCHEMBL2037719 0.78 PPID (1.00) PPIDEPHX1PPIBPPIGPPIA
SCHEMBL15832152 0.77 PPID (0.43) PPIDGAASMN1; SMN2EPHX1NAMPT
SCHEMBL14576864 0.76 PPIB (0.63) PPIDGAASMN1; SMN2EPHX1PPIB
SCHEMBL5476362 0.75 ALDH1A1 (0.64) GAASMN1; SMN2CYP2D6KMT2APOLB
SCHEMBL12643850 0.75 EPHX1 (0.66) PPIDSMN1; SMN2EPHX1PPIBPPIG
SCHEMBL16511120 0.75 GAA (0.81) GAASMN1; SMN2CYP2D6KMT2AMEN1

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 7 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-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 PPID 73/4885GAA 3558/4885SMN1; SMN2 2177/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 PPID 73/4885GAA 3558/4885SMN1; SMN2 2177/4885

“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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