SCHEMBL12643766

SCHEMBL12643766

CN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 4/20 0.71
▸ PPID Q08752 5/20 0.63
▸ PPIG Q13427 2/20 0.63
▸ PPIA P62937 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ TPSAB1 Q15661 2/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NAMPT P43490 1/20 0.46

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
SCHEMBL14617669 0.88 SMN1; SMN2 (0.68) PPIBPPIDPPIGNPC1RAB9A
SCHEMBL14575947 0.88 PPIB (0.68) PPIBPPIDPPIGPPIANPC1
SCHEMBL12643950 0.83 PPIB (1.00) PPIBPPIDPPIGPPIASMN1; SMN2
SCHEMBL12643755 0.82 SMN1; SMN2 (0.68) PPIBPPIDPPIGPPIASMN1; SMN2
SCHEMBL14576864 0.79 PPIB (0.63) PPIBPPIDPPIGPPIASMN1; SMN2
SCHEMBL22664808 0.78 NPC1 (0.62) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12643824 0.77 PPID (1.00) PPIBPPIDPPIGPPIANPC1
SCHEMBL11537320 0.76 NPC1 (0.69) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL16270338 0.76 SMN1; SMN2 (0.65) PPIBPPIDPPIGNPC1RAB9A
SCHEMBL12643846 0.76 PPIB (0.59) PPIBPPIDPPIGPPIASMN1; SMN2

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 10 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-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-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-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 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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