SCHEMBL21739280

SCHEMBL21739280

CNC(=O)c1cc2c(F)ccc(C)c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.56
SETD2 Q9BYW2 19/20 0.52
NSD2 O96028 4/20 0.51
CYP2C8 P10632 1/20 0.47
DRD2 P14416 1/20 0.47
HTR1B P28222 1/20 0.47
CYP2D6 P10635 1/20 0.44
CYP2B6 P20813 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
SCHEMBL30471285 0.89 IDO1 (0.54) HRH4SETD2NSD2
SCHEMBL25039711 0.88 HRH4 (0.56) HRH4SETD2NSD2CYP2C8DRD2
SCHEMBL21739348 0.86 HRH4 (0.54) HRH4SETD2NSD2CYP2C8DRD2
SCHEMBL21725077 0.82 HRH4 (0.59) HRH4SETD2NSD2
SCHEMBL30056140 0.82 HRH4 (0.59) HRH4SETD2NSD2
SCHEMBL21724765 0.81 HRH4 (0.58) HRH4SETD2NSD2CYP2C8DRD2
SCHEMBL30544767 0.79 PTPN11 (0.41) HRH4SETD2NSD2
SCHEMBL25812184 0.78 ALOX15 (0.50) HRH4SETD2NSD2
SCHEMBL25040426 0.77 SETD2 (0.60) HRH4SETD2NSD2CYP2C8DRD2
SCHEMBL26097856 0.77 SETD2 (0.60) HRH4SETD2NSD2CYP2C8DRD2

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 3 patents. 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
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 (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 HRH4 3748/4885SETD2 8/4885NSD2 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.