SCHEMBL2039737

SCHEMBL2039737

CCOC(=O)CNC(=O)NCc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPID Q08752 4/20 0.64
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 1/20 0.55
PPIB P23284 1/20 0.54
PPIA P62937 1/20 0.54
PPIG Q13427 1/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
P2RX7 Q99572 1/20 0.51

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
SCHEMBL31215234 1.00 PPID (0.64) PPIDL3MBTL1KMT2ASMN1; SMN2RAB9A
SCHEMBL30700389 0.85 ALDH1A1 (0.56) PPIDL3MBTL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL75805 0.85 ALDH1A1 (0.56) PPIDL3MBTL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL7712013 0.83 MAPT (0.60) L3MBTL1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL31215205 0.83 MAPT (0.60) L3MBTL1KMT2ASMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL5434602 0.83 ALDH1A1 (0.55) PPIDL3MBTL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL21065524 0.82 SMN1; SMN2 (0.79) L3MBTL1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL29460273 0.82 SMN1; SMN2 (0.79) L3MBTL1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL22861337 0.81 SMN1; SMN2 (0.63) L3MBTL1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL13266991 0.81 SMN1; SMN2 (0.67) L3MBTL1KMT2ASMN1; SMN2RAB9ANPC1

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 16 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-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-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
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
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
EP-2516387-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-10-31 EP 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
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 73/4885L3MBTL1 3342/4885KMT2A 4845/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 PPID 73/4885L3MBTL1 3342/4885KMT2A 4845/4885

“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.