SCHEMBL15832152

SCHEMBL15832152

C=C(CNC(=C)NCc1ccc(N)cc1)NCCN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NAMPT P43490 3/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ CD274 Q9NZQ7 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
SCHEMBL15832193 0.81 ALDH1A1 (0.48) PPIDALDH1A1GAASMN1; SMN2CYP2D6
SCHEMBL12643847 0.77 PPID (0.63) PPIDGAASMN1; SMN2NAMPTMEN1
SCHEMBL15832176 0.74 EPHX1 (0.46) PPIDSMN1; SMN2NAMPTPOLBEPHX1
SCHEMBL14618806 0.73 CYP1A2 (0.50) ALDH1A1MEN1POLBKMT2ACYP1A2
SCHEMBL3577555 0.72 DPP7 (0.70) PPIDALDH1A1DPP7SIGMAR1KMT2A
SCHEMBL15109520 0.69 HRH3 (0.55) ALDH1A1GAASMN1; SMN2SIGMAR1MEN1
SCHEMBL3401326 0.68 CYP1A2 (0.74) ALDH1A1MEN1POLBKMT2ACYP1A2
SCHEMBL15109525 0.68 GAA (0.54) ALDH1A1GAASMN1; SMN2SIGMAR1MEN1
SCHEMBL15832187 0.68 PPID (0.42) PPIDALDH1A1GAASMN1; SMN2EPHX1
SCHEMBL3408343 0.66 ALDH1A1 (0.71) ALDH1A1MEN1POLBKMT2ACYP1A2

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 PPID 73/4885ALDH1A1 3684/4885DPP7 3276/4885

“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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