SCHEMBL13409963

SCHEMBL13409963

CC(=O)Nc1ccc(C(=O)N[C@H](CC(=O)O)C[N+](C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ CACNA1B Q00975 1/20 0.49
▸ APBA1 Q02410 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ CRAT P43155 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL3679267 0.88 CRAT (0.58) KMT2AMEN1CACNA1BAPBA1ALDH1A1
SCHEMBL3679268 0.88 CRAT (0.58) KMT2AMEN1CACNA1BAPBA1ALDH1A1
SCHEMBL14822945 0.82 KMT2A (0.49) KMT2AMEN1CACNA1BAPBA1ALDH1A1
SCHEMBL14069885 0.81 NPC1 (0.51) ALDH1A1L3MBTL1SMN1; SMN2GAACYP3A4
SCHEMBL13409930 0.81 SMN1; SMN2 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13409974 0.79 KMT2A (0.51) KMT2AMEN1SMN1; SMN2HTTHDAC1
SCHEMBL13409972 0.78 MMP2 (0.50) —
SCHEMBL13409935 0.77 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13409926 0.76 PLK1 (0.53) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
Acetic Acid SCHEMBL3691173 0.76 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 — — US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 — — 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 KMT2A 662/4885MEN1 3665/4885CACNA1B 3527/4885

“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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