SCHEMBL15832160

SCHEMBL15832160

C=C(NCC(=C)N(C)CCc1ccccc1)NCc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 2/20 0.44
▸ MAOB P27338 4/20 0.41
▸ MAOA P21397 2/20 0.41
▸ PPID Q08752 1/20 0.39
▸ PPIG Q13427 1/20 0.39
▸ ALOX12 P18054 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL15832146 0.76 SMN1; SMN2 (0.49) ALOX12GAAMAPTMEN1POLB
SCHEMBL14575947 0.76 PPIB (0.68) PPIBPPIDPPIGKMT2AALDH1A1
SCHEMBL15832149 0.75 EPHX1 (0.41) PPIBPPIDPPIGPOLB
SCHEMBL15832171 0.74 PPID (0.56) PPIBMAOBPPIDPPIGALDH1A1
SCHEMBL15832178 0.74 PPIB (0.77) PPIBPPIDPPIGGAAMEN1
SCHEMBL3343137 0.70 ALOX12 (0.67) MAOBMAOAALOX12GAAMAPT
SCHEMBL8711125 0.68 ALOX12 (0.59) MAOBMAOAALOX12GAAMAPT
SCHEMBL4802898 0.67 GFER (0.48) MAOBMAOAMAPTAOC3KMT2A
SCHEMBL19882171 0.67 ALOX12 (0.48) MAOBMAOAALOX12GAAMAPT
SCHEMBL15832155 0.66 SMN1; SMN2 (0.57) ALOX12GAAMAPTMEN1POLB

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 51/4885MAOB 2960/4885MAOA 3242/4885

“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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