SCHEMBL15832193

SCHEMBL15832193

C=C(CNC(=C)NCc1ccc(N)cc1)NCc1cccc(CN2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ PRMT6 Q96LA8 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PPID Q08752 1/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MLLT1 Q03111 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ HRH2 P25021 1/20 0.37

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
SCHEMBL15832152 0.81 PPID (0.43) ALDH1A1SMN1; SMN2CYP2D6CYP2C9PPID
SCHEMBL15832164 0.78 PRMT6 (0.45) ALDH1A1PRMT6SMN1; SMN2TDP1CYP2D6
SCHEMBL15832158 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL15832188 0.73 ADRB2 (0.35) ALDH1A1PPIDCHRM3
SCHEMBL15832176 0.71 EPHX1 (0.46) SMN1; SMN2PPID
SCHEMBL12643952 0.71 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2PPIDCHRM3
SCHEMBL15832191 0.71 CTSD (0.40) CYP2D6PPIDCYP2C19
SCHEMBL14313947 0.71 PRMT6 (0.65) ALDH1A1PRMT6SMN1; SMN2TDP1CYP2D6
SCHEMBL13293921 0.71 CYP2D6 (0.57) ALDH1A1PRMT6SMN1; SMN2TDP1CYP2D6
SCHEMBL11192726 0.70 PRMT6 (0.78) ALDH1A1PRMT6SMN1; SMN2TDP1CYP2D6

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 ALDH1A1 3684/4885PRMT6 1455/4885SMN1; SMN2 2177/4885

“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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