SCHEMBL29882018

SCHEMBL29882018

O=C(NC1CCC1)c1ccc2nc(-c3cccc(NS(=O)(=O)NCCc4c[nH]cn4)c3)cn2c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.73
HPGDS O60760 8/20 0.46
KDM4E B2RXH2 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 4/20 0.37
POLB P06746 3/20 0.37
ALDH1A1 P00352 3/20 0.36
TYRO3 Q06418 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL22939414 1.00 MLLT1 (0.73) MLLT1HPGDSKDM4ESMN1; SMN2RAB9A
SCHEMBL22939368 0.88 MLLT1 (0.56) MLLT1HPGDSKDM4ESMN1; SMN2RAB9A
SCHEMBL25480030 0.83 MLLT1 (0.88) MLLT1HPGDSKDM4ESMN1; SMN2RAB9A
SCHEMBL25513463 0.82 MLLT1 (0.87) MLLT1HPGDSKDM4ESMN1; SMN2RAB9A
SCHEMBL25483890 0.81 MLLT1 (0.84) MLLT1HPGDSKDM4ESMN1; SMN2RAB9A
SCHEMBL31460463 0.74 HPGDS (0.64) MLLT1HPGDSKDM4ESMN1; SMN2RAB9A
SCHEMBL22939439 0.73 MLLT1 (0.61) MLLT1HPGDSKDM4ESMN1; SMN2RAB9A
SCHEMBL22939441 0.73 MAPT (0.64) MLLT1HPGDSKDM4ESMN1; SMN2RAB9A
SCHEMBL25481028 0.72 MLLT1 (0.66) MLLT1HPGDS
SCHEMBL25481018 0.72 MLLT1 (0.63) MLLT1HPGDS

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-20220274980-A1 PHARMACOLOGICAL INHIBITORS OF THE ENL YEATS DOMAIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-09-01 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-20220274980-A1 PHARMACOLOGICAL INHIBITORS OF THE ENL YEATS DOMAIN YEATS2, MLLT1, YEATS4 MLLT1 2/4885HPGDS 1134/4885KDM4E 129/4885

“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.