SCHEMBL19986341

SCHEMBL19986341

COC(=O)C(C(C)=O)c1ccc2nc(C)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.52
RAB9A P51151 10/20 0.47
NPC1 O15118 9/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
ROCK2 O75116 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 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
SCHEMBL19926302 0.93 LDHA (0.52) LDHARAB9ANPC1KMT2AMEN1
SCHEMBL23932781 0.85 LDHA (0.52) LDHARAB9ANPC1KMT2AMEN1
SCHEMBL13799596 0.77 SMN1; SMN2 (0.49) LDHARAB9ANPC1KMT2AMEN1
SCHEMBL8031624 0.76 LDHA (0.51) LDHARAB9ANPC1KMT2AMEN1
SCHEMBL13799598 0.73 LDHA (0.51) LDHARAB9ANPC1KMT2AMEN1
SCHEMBL19926175 0.73 OGA (0.43) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL30521463 0.72 SMN1; SMN2 (0.54) LDHARAB9ANPC1KMT2AMEN1
SCHEMBL25804734 0.72 SMN1; SMN2 (0.54) LDHARAB9ANPC1KMT2AMEN1
SCHEMBL19926229 0.72 ALOX15 (0.55) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL12600109 0.72 ALDH1A1 (0.47) LDHARAB9ANPC1KMT2AMEN1

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-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 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-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 LDHA 580/4885RAB9A 512/4885NPC1 2877/4885

“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.