SCHEMBL21739331

SCHEMBL21739331

Cc1cccc2cc(C(=O)NC3CCCCC3)[nH]c12

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.78
NSD2 O96028 3/20 0.71
SETD2 Q9BYW2 2/20 0.71
PLA2G7 Q13093 9/20 0.57
HRH4 Q9H3N8 3/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
MLLT1 Q03111 1/20 0.52
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL17209750 1.00 SMYD3 (0.78) SMYD3NSD2SETD2PLA2G7HRH4
SCHEMBL17209755 1.00 SMYD3 (0.78) SMYD3NSD2SETD2PLA2G7HRH4
SCHEMBL25038007 0.89 SMYD3 (0.76) SMYD3NSD2SETD2PLA2G7HRH4
SCHEMBL26098907 0.89 SMYD3 (0.80) SMYD3NSD2SETD2PLA2G7HRH4
SCHEMBL25040319 0.89 SMYD3 (0.80) SMYD3NSD2SETD2PLA2G7HRH4
SCHEMBL25037859 0.89 SMYD3 (0.80) SMYD3NSD2SETD2PLA2G7HRH4
SCHEMBL26097606 0.89 SMYD3 (0.80) SMYD3NSD2SETD2PLA2G7HRH4
SCHEMBL25040197 0.88 SMYD3 (0.74) SMYD3NSD2SETD2PLA2G7HRH4
SCHEMBL21489812 0.88 SMYD3 (1.00) SMYD3NSD2SETD2PLA2G7HRH4
SCHEMBL19710050 0.88 SMYD3 (1.00) SMYD3NSD2SETD2PLA2G7HRH4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299352-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. 2024-09-12 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 US disclosed
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
WO-2020112872-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. (US) 2020-06-04 WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 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 (3 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-20240299352-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS SETD2, CARM1, SETDB1 SMYD3 386/4885NSD2 35/4885SETD2 1/4885
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 SMYD3 31/4885NSD2 6/4885SETD2 8/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 SMYD3 489/4885NSD2 14/4885SETD2 3/4885

“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.