SCHEMBL15832147

SCHEMBL15832147

C=C(CNC(=O)NCc1ccc(C)cc1)NCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ EPHX1 P07099 1/20 0.62
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ PLAAT3 P53816 2/20 0.53
▸ PLAAT5 Q96KN8 2/20 0.53
▸ PLAAT2 Q9NWW9 2/20 0.53
▸ PLAAT4 Q9UL19 2/20 0.53
▸ EPHX2 P34913 1/20 0.52
▸ MAPT P10636 2/20 0.52
▸ PPID Q08752 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ KDM4E B2RXH2 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
SCHEMBL14617672 0.87 SMN1; SMN2 (0.70) SMN1; SMN2EPHX1NPC1RAB9AMEN1
SCHEMBL20649314 0.82 SMN1; SMN2 (0.69) SMN1; SMN2EPHX1NPC1RAB9AMEN1
SCHEMBL13049648 0.82 SMN1; SMN2 (1.00) SMN1; SMN2EPHX1NPC1RAB9AMEN1
SCHEMBL17117240 0.80 EPHX2 (0.82) SMN1; SMN2EPHX1NPC1RAB9AMEN1
SCHEMBL14617667 0.79 SMN1; SMN2 (0.81) SMN1; SMN2EPHX1NPC1RAB9AMEN1
SCHEMBL3418508 0.79 EPHX1 (1.00) SMN1; SMN2EPHX1NPC1RAB9AMEN1
SCHEMBL15832155 0.76 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1HPGD
SCHEMBL17117302 0.76 CYP2C9 (0.74) SMN1; SMN2EPHX1NPC1RAB9AKMT2A
SCHEMBL16270338 0.76 SMN1; SMN2 (0.65) SMN1; SMN2EPHX1NPC1RAB9AMEN1
SCHEMBL25003647 0.75 SMN1; SMN2 (0.59) SMN1; SMN2EPHX1NPC1RAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SMN1; SMN2 2177/4885EPHX1 645/4885NPC1 723/4885

“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