SCHEMBL15832178

SCHEMBL15832178

C=C(NCC(=O)N(C)c1ccccc1)NCc1ccc(N)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 4/20 0.77
▸ PPID Q08752 2/20 0.47
▸ PPIG Q13427 2/20 0.47
▸ PPIA P62937 1/20 0.42
▸ KMT2A Q03164 4/20 0.40
▸ PYGL P06737 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ THRA P10827 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
SCHEMBL12643950 0.87 PPIB (1.00) PPIBPPIDPPIGPPIASMN1; SMN2
SCHEMBL15832161 0.76 PPIB (0.79) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL16270327 0.75 PPIB (0.79) PPIBPPIDPPIGKMT2AMEN1
SCHEMBL15832160 0.74 PPIB (0.44) PPIBPPIDPPIGKMT2AMEN1
SCHEMBL12643848 0.73 PPIB (1.00) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL15832143 0.72 PPID (0.47) PPIBPPIDPPIGPPIAEPHX2
SCHEMBL6961451 0.71 PPIB (0.57) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL12643766 0.71 PPIB (0.71) PPIBPPIDPPIGPPIAKMT2A
SCHEMBL14667454 0.70 PPIB (0.55) PPIBKMT2ADRD4MEN1CYP2C19
SCHEMBL14575948 0.70 PPIB (0.62) PPIBPPIDPPIGPPIAALDH1A1

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 1 patent. 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

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 PPIB 51/4885PPID 73/4885PPIG 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.

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