SCHEMBL30919960

SCHEMBL30919960

CCC[C@H](CC(=O)O)Nc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
FDPS P14324 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
PKM P14618 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17234229 1.00 MME (0.46) MMESMN1; SMN2HTTFDPSALDH1A1
SCHEMBL17234224 1.00 MME (0.46) MMESMN1; SMN2HTTFDPSALDH1A1
SCHEMBL23586876 1.00 MME (0.46) MMESMN1; SMN2HTTFDPSALDH1A1
SCHEMBL17234143 0.88 ALDH1A1 (0.49) SMN1; SMN2HTTFDPSALDH1A1GAA
SCHEMBL1602633 0.88 ALDH1A1 (0.49) SMN1; SMN2HTTFDPSALDH1A1GAA
SCHEMBL30919983 0.88 ALDH1A1 (0.49) SMN1; SMN2HTTFDPSALDH1A1GAA
SCHEMBL17234135 0.88 ALDH1A1 (0.49) SMN1; SMN2HTTFDPSALDH1A1GAA
SCHEMBL30920017 0.88 ALDH1A1 (0.49) SMN1; SMN2HTTFDPSALDH1A1GAA
SCHEMBL17234138 0.82 FDPS (0.46) SMN1; SMN2HTTFDPSGAAPOLB
SCHEMBL30919966 0.82 FDPS (0.46) SMN1; SMN2HTTFDPSGAAPOLB

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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 MME 4510/4885SMN1; SMN2 2486/4885HTT 2542/4885

“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.