SCHEMBL25037752

SCHEMBL25037752

Cc1ccc(F)c2cc(C(=O)Nc3cccc4cnccc34)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ SETD2 Q9BYW2 5/20 0.48
▸ TRPV1 Q8NER1 7/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ NPY5R Q15761 1/20 0.46
▸ NSD2 O96028 1/20 0.46

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
SCHEMBL21724782 0.88 SETD2 (0.48) CNR1KMT2AMAPTSETD2MEN1
SCHEMBL25039576 0.87 SETD2 (0.53) KMT2ASETD2MEN1NSD2
SCHEMBL26098096 0.84 SETD2 (0.47) KMT2AMAPTSETD2TRPV1MEN1
SCHEMBL26099783 0.82 NPC1 (0.60) KMT2AMAPTSETD2MEN1HTT
SCHEMBL25039980 0.80 CYP1A2 (0.57) ALDH1A1KMT2AMAPTSETD2SMN1; SMN2
SCHEMBL17149667 0.77 MAPT (0.50) ALDH1A1KMT2AMAPTKDM4ETRPV1
SCHEMBL25039719 0.76 SETD2 (0.57) CNR1SETD2NSD2
SCHEMBL25040178 0.76 SETD2 (0.59) CNR1MAPTSETD2SMN1; SMN2MAPK1
SCHEMBL11733103 0.75 ALDH1A1 (0.64) CNR1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL25037735 0.73 SETD2 (0.58) CNR1MAPTSETD2MAPK1NSD2

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-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

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 CNR1 4145/4885ALDH1A1 4158/4885KMT2A 24/4885
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 CNR1 4508/4885ALDH1A1 3592/4885KMT2A 33/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 CNR1 4321/4885ALDH1A1 4808/4885KMT2A 52/4885

“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.

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