SCHEMBL15832171

SCHEMBL15832171

C=C(CNC(=O)NCc1ccc(N)cc1)N(CC)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 9/20 0.56
▸ PPIB P23284 6/20 0.56
▸ PPIG Q13427 5/20 0.56
▸ PPIA P62937 1/20 0.49
▸ EPHX2 P34913 1/20 0.46
▸ EPHX1 P07099 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PTPN1 P18031 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL15832198 0.86 NAMPT (0.45) PPIDPPIBPPIGEPHX2EPHX1
SCHEMBL14575947 0.79 PPIB (0.68) PPIDPPIBPPIGPPIAEPHX2
SCHEMBL12643832 0.77 PPIB (0.53) PPIDPPIBPPIGPPIAEPHX2
SCHEMBL12643755 0.76 SMN1; SMN2 (0.68) PPIDPPIBPPIGPPIAEPHX2
SCHEMBL12643846 0.76 PPIB (0.59) PPIDPPIBPPIGPPIAEPHX2
SCHEMBL15832160 0.74 PPIB (0.44) PPIDPPIBPPIGALDH1A1L3MBTL1
SCHEMBL14576864 0.74 PPIB (0.63) PPIDPPIBPPIGPPIAEPHX2
SCHEMBL12643850 0.73 EPHX1 (0.66) PPIDPPIBPPIGPPIAEPHX2
Aniline SCHEMBL27840986 0.72 PPIB (0.60) PPIDPPIBPPIGPPIAEPHX2
SCHEMBL12643824 0.72 PPID (1.00) PPIDPPIBPPIGPPIAEPHX1

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 PPID 73/4885PPIB 51/4885PPIG 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.

Send feedback