SCHEMBL3678934

SCHEMBL3678934

Cc1ccoc1C(=O)Nc1ccc(C(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ CRAT P43155 1/20 0.42
▸ GRM1 Q13255 10/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ GRM4 Q14833 4/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ CPT2 P23786 1/20 0.37
▸ CPT1A P50416 1/20 0.37
▸ CPT1B Q92523 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
SCHEMBL3678936 1.00 KDM4E (0.48) KDM4ESMN1; SMN2GAAMEN1NPC1
SCHEMBL13409930 0.91 SMN1; SMN2 (0.55) KDM4ESMN1; SMN2GAAMEN1NPC1
SCHEMBL3679268 0.81 CRAT (0.58) KDM4ESMN1; SMN2GAAMEN1KMT2A
SCHEMBL3679267 0.81 CRAT (0.58) KDM4ESMN1; SMN2GAAMEN1KMT2A
SCHEMBL14822895 0.78 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2GAAMEN1NPC1
SCHEMBL10414824 0.74 CRAT (0.58) RAB9ACRATALDH1A1CPT2CPT1A
SCHEMBL10414822 0.74 CRAT (0.58) RAB9ACRATALDH1A1CPT2CPT1A
SCHEMBL3687172 0.72 CRAT (0.49) CRAT
SCHEMBL3687169 0.72 CRAT (0.49) CRAT
SCHEMBL3687565 0.71 CRAT (0.50) SMN1; SMN2MEN1KMT2ACRATCPT2

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 KDM4E 1405/4885SMN1; SMN2 1205/4885GAA 953/4885

“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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