SCHEMBL13872396

SCHEMBL13872396

CC(C)CCC(=O)NCC[C@H](O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL17595505 0.76 MAPK1 (0.59) NPSR1KMT2AALDH1A1MAPK1MAPT
SCHEMBL21389362 0.75 POLB (0.55) NPSR1KMT2AALDH1A1GAALMNA
SCHEMBL27488154 0.74 ALDH1A1 (0.59) NPSR1KMT2AALDH1A1GAALMNA
SCHEMBL1415776 0.73 KMT2A (0.56) KMT2AALDH1A1MAPK1MAPTRAB9A
SCHEMBL18063410 0.73 KMT2A (0.56) KMT2AALDH1A1GAAMAPK1MAPT
SCHEMBL28885803 0.73 KMT2A (0.52) NPSR1KMT2AALDH1A1MAPK1MAPT
SCHEMBL28885801 0.73 KMT2A (0.52) NPSR1KMT2AALDH1A1MAPK1MAPT
SCHEMBL8939993 0.72 ALDH1A1 (0.64) NPSR1KMT2AALDH1A1MAPK1MAPT
SCHEMBL4712246 0.72 MAPK1 (0.55) KMT2AALDH1A1MAPK1MAPTRAB9A
SCHEMBL15572088 0.71 ALDH1A1 (0.57) KMT2AALDH1A1MAPK1MAPTRAB9A

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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 NPSR1 209/4885KMT2A 2725/4885ALDH1A1 1565/4885

“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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