SCHEMBL22939331

SCHEMBL22939331

O=C(O)c1ccc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.65
SENP7 Q9BQF6 2/20 0.65
SENP6 Q9GZR1 2/20 0.65
SENP8 Q96LD8 1/20 0.65
ALDH1A1 P00352 4/20 0.61
MAPT P10636 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 3/20 0.61
PKM P14618 1/20 0.61
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HSP90AA1 P07900 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KEAP1 Q14145 3/20 0.54
NFE2L2 Q16236 3/20 0.54
PPARG P37231 1/20 0.53
CSNK2A1 P68400 2/20 0.52
LMNA P02545 1/20 0.49

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
SCHEMBL2126609 0.86 RAB9A (0.69) CASP3SENP7SENP6SENP8ALDH1A1
SCHEMBL29882661 0.85 ALDH1A1 (0.65) CASP3SENP7SENP6SENP8ALDH1A1
SCHEMBL1691257 0.83 RAB9A (0.73) CASP3SENP7SENP6SENP8ALDH1A1
SCHEMBL4726717 0.80 ALDH1A1 (0.68) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6391407 0.79 CASP3 (1.00) CASP3SENP7SENP6SENP8ALDH1A1
SCHEMBL2129500 0.78 RAB9A (0.58) CASP3SENP7SENP6SENP8ALDH1A1
SCHEMBL11407545 0.75 RAB9A (0.76) CASP3SENP7SENP6SENP8ALDH1A1
SCHEMBL16568913 0.75 ALDH1A1 (0.57) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7275462 0.74 TP53 (0.80) ALDH1A1MAPTSMN1; SMN2KDM4EKEAP1
SCHEMBL3765312 0.73 TP53 (0.67) MAPTRAB9ASMN1; SMN2NPC1MEN1

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-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
WO-2021021904-A1 PHARMACOLOGICAL INHIBITORS OF THE ENL YEATS DOMAIN THE SCRIPPS RESEARCH INSTITUTE (US) 2021-02-04 WO 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 CASP3 2933/4885SENP7 2162/4885SENP6 1774/4885

“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.