SCHEMBL21724765

SCHEMBL21724765

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.58
SETD2 Q9BYW2 16/20 0.46
NSD2 O96028 3/20 0.45
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
CYP2C8 P10632 1/20 0.42
DRD2 P14416 1/20 0.42
HTR1B P28222 1/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL30830321 0.91 HRH4 (0.51) HRH4SETD2NSD2IDO1TDO2
SCHEMBL20504672 0.89 IDO1 (0.48) HRH4SETD2NSD2IDO1TDO2
SCHEMBL29063177 0.86 IDO1 (0.54) HRH4IDO1TDO2
SCHEMBL21725077 0.85 HRH4 (0.59) HRH4SETD2NSD2IDO1TDO2
SCHEMBL30056140 0.85 HRH4 (0.59) HRH4SETD2NSD2IDO1TDO2
SCHEMBL9965009 0.83 HRH4 (0.42) HRH4SETD2NSD2KDM4EMEN1
SCHEMBL25039711 0.81 HRH4 (0.56) HRH4SETD2NSD2CYP2C8DRD2
SCHEMBL21739280 0.81 HRH4 (0.56) HRH4SETD2NSD2CYP2C8DRD2
SCHEMBL29063246 0.80 MAP2K1 (0.49) HRH4IDO1TDO2MAPT
SCHEMBL21739348 0.80 HRH4 (0.54) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12116358-B2 Substituted indoles and methods of use thereof Epizyme, Inc. (US) 2024-10-15 US disclosed
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-20230075198-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. 2023-03-09 US disclosed
EP-3837240-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2021-06-23 EP disclosed
CN-112585119-A Substituted indoles and methods of use thereof EPIZYME股份有限公司 2021-03-30 CN disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 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 (4 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-12116358-B2 Substituted indoles and methods of use thereof CCNE1, CCNE2, FOXM1 HRH4 457/4885SETD2 947/4885NSD2 641/4885
US-20230075198-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF FOXM1, CCNE2, CCNE1 HRH4 530/4885SETD2 1006/4885NSD2 644/4885
US-20240299352-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS SETD2, CARM1, SETDB1 HRH4 4351/4885SETD2 1/4885NSD2 35/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 HRH4 3102/4885SETD2 3/4885NSD2 14/4885

“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.