SCHEMBL12643953

SCHEMBL12643953

COc1cccc(CNC(=O)CNC(=O)NCc2ccc(N)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ PPIB P23284 2/20 0.56
▸ HPGD P15428 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ EPHX2 P34913 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ MMP13 P45452 2/20 0.53
▸ PPIA P62937 1/20 0.52
▸ PPID Q08752 1/20 0.52
▸ PPIG Q13427 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL16270332 0.89 MEN1 (0.61) ALDH1A1SMN1; SMN2HTTHPGDPOLB
SCHEMBL3815151 0.83 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HTTHPGDPOLB
SCHEMBL2038255 0.82 PPIB (0.58) ALDH1A1SMN1; SMN2HTTPPIBHPGD
SCHEMBL14576864 0.82 PPIB (0.63) ALDH1A1SMN1; SMN2PPIBEPHX2PPIA
SCHEMBL12643832 0.80 PPIB (0.53) ALDH1A1SMN1; SMN2HTTPPIBHPGD
SCHEMBL2034561 0.80 PPIB (0.76) ALDH1A1SMN1; SMN2HTTPPIBHPGD
SCHEMBL31396722 0.79 MMP13 (0.75) ALDH1A1SMN1; SMN2HTTHPGDKDM4E
SCHEMBL12643846 0.78 PPIB (0.59) ALDH1A1SMN1; SMN2PPIBEPHX2PPIA
SCHEMBL14643175 0.78 PPIB (0.49) ALDH1A1HTTPPIBHPGDPOLB
SCHEMBL14576313 0.78 PPIB (0.56) ALDH1A1SMN1; SMN2PPIBHPGDPPIA

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 11 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-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
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
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 ALDH1A1 3684/4885SMN1; SMN2 2177/4885HTT 2387/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 ALDH1A1 3684/4885SMN1; SMN2 2177/4885HTT 2387/4885

“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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