SCHEMBL12643828

SCHEMBL12643828

Nc1ccc(CNC(=O)Nn2cnc3ccccc3c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ POLB P06746 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL12643758 0.87 NPC1 (0.54) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL8986858 0.83 SMN1; SMN2 (0.53) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL15832183 0.83 NPC1 (0.56) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL8986871 0.76 LMNA (0.71) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL8986849 0.72 SMN1; SMN2 (0.54) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL3563360 0.71 KMT2A (0.80) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL8986845 0.71 SMN1; SMN2 (0.59) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL8986883 0.71 KMT2A (0.70) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL8986852 0.71 SMN1; SMN2 (0.58) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL12643755 0.70 SMN1; SMN2 (0.68) LMNASMN1; SMN2KMT2AMAPTPOLB

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 12 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
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 NPC1 723/4885RAB9A 4312/4885LMNA 4126/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 NPC1 723/4885RAB9A 4312/4885LMNA 4126/4885

“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.

Send feedback