SCHEMBL25040904

SCHEMBL25040904

Cc1ccc(F)c2cc(C(=O)NCCc3ccccc3N3CCN(C)CC3)[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 13/20 0.58
HRH4 Q9H3N8 2/20 0.53
NSD2 O96028 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 2/20 0.42
CYP2C8 P10632 1/20 0.42
HTR1B P28222 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL21724842 0.82 SETD2 (0.56) SETD2HRH4NSD2DRD2CYP2C8
SCHEMBL7879547 0.79 KDM4E (0.48) ALDH1A1HPGDKDM4EDRD2TSHR
SCHEMBL7877589 0.79 DRD3 (0.59) HRH4DRD2
SCHEMBL25040785 0.78 SETD2 (0.68) SETD2HRH4NSD2HTR1B
SCHEMBL6662366 0.77 NPC1 (0.52) ALDH1A1HPGDKDM4EDRD2KMT2A
SCHEMBL25040299 0.77 SETD2 (0.75) SETD2HRH4NSD2ALDH1A1KDM4E
SCHEMBL25037901 0.75 HRH4 (0.55) SETD2HRH4NSD2DRD2HTR1B
SCHEMBL25040030 0.75 SETD2 (0.58) SETD2HRH4NSD2ALDH1A1KDM4E
SCHEMBL5160955 0.75 HTR1A (0.60) ALDH1A1HPGDKDM4EDRD2
SCHEMBL5160839 0.74 DRD2 (0.53) DRD2KMT2A

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-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 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-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 SETD2 8/4885HRH4 3748/4885NSD2 6/4885

“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.