SCHEMBL14576313

SCHEMBL14576313

Nc1ccc(CNC(=O)NCC(=O)NCc2ccc(COc3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 4/20 0.56
▸ PPID Q08752 3/20 0.56
▸ PPIG Q13427 2/20 0.56
▸ KMT2A Q03164 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 1/20 0.51
▸ PPIA P62937 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GID4 Q8IVV7 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ SPHK2 Q9NRA0 1/20 0.48

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
SCHEMBL16270336 0.88 LMNA (0.67) PPIDKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL14576864 0.87 PPIB (0.63) PPIBPPIDPPIGKMT2ASMN1; SMN2
SCHEMBL12643846 0.83 PPIB (0.59) PPIBPPIDPPIGKMT2ASMN1; SMN2
SCHEMBL12643953 0.78 ALDH1A1 (0.60) PPIBPPIDPPIGKMT2ASMN1; SMN2
SCHEMBL12643850 0.78 EPHX1 (0.66) PPIBPPIDPPIGSMN1; SMN2PPIA
SCHEMBL13505315 0.78 PPARG (0.53) PPIDKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12643755 0.78 SMN1; SMN2 (0.68) PPIBPPIDPPIGKMT2ASMN1; SMN2
SCHEMBL10133176 0.77 NPC1 (0.67) KMT2ASMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8935238 0.77 LTA4H (0.67) KMT2AALDH1A1HPGDGID4MAOB
SCHEMBL323938 0.76 MAOB (0.84) SMN1; SMN2ALDH1A1LMNAMAPTRAB9A

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-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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