SCHEMBL15832146

SCHEMBL15832146

C=C(NCC(=C)N(C)Cc1ccccc1)NCc1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ GAA P10253 3/20 0.45
▸ MEN1 O00255 7/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL15832155 0.80 SMN1; SMN2 (0.57) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL15832160 0.76 PPIB (0.44) GAAMEN1KMT2AALDH1A1ALOX12
SCHEMBL14617669 0.74 SMN1; SMN2 (0.68) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL3343137 0.72 ALOX12 (0.67) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL19373208 0.71 ALDH1A1 (0.61) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL13719809 0.71 NPC1 (0.67) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL15832162 0.70 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL19882171 0.69 ALOX12 (0.48) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL16357663 0.69 ADAM17 (0.58) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL29221795 0.69 SMN1; SMN2 (0.66) SMN1; SMN2GAAMEN1KMT2AALDH1A1

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 SMN1; SMN2 2177/4885GAA 3558/4885MEN1 4127/4885

“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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