SCHEMBL21703567

SCHEMBL21703567

O=C(N[C@H]1CCN(C2CC2)C1)c1cccc(N2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH3 Q9Y5N1 4/20 0.50
CHRM1 P11229 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CCR2 P41597 1/20 0.47
KCNH2 Q12809 1/20 0.47
PPARA Q07869 3/20 0.46
PPARD Q03181 2/20 0.46
SMYD3 Q9H7B4 1/20 0.45
PPARG P37231 1/20 0.44

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
SCHEMBL19294706 0.81 MEN1 (0.50) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL19294704 0.81 MEN1 (0.50) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL19282373 0.81 MEN1 (0.50) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL19282511 0.81 MEN1 (0.50) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL19282376 0.81 MEN1 (0.50) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL11803648 0.79 KMT2A (0.56) MEN1KMT2AL3MBTL3L3MBTL1HRH3
SCHEMBL11670884 0.77 HRH3 (0.61) MEN1KMT2AHRH3CHRM1
SCHEMBL11834314 0.76 MEN1 (0.59) MEN1KMT2ACCR2KCNH2
SCHEMBL10212608 0.75 PLOD2 (0.52) KMT2ANPC1RAB9ASMN1; SMN2PPARA
SCHEMBL11671450 0.75 SMYD3 (0.58) KMT2AHRH3NPC1RAB9ASMYD3

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-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 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-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 KDM4E 85/4885MEN1 2993/4885ALDH1A1 2292/4885

“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.