SCHEMBL31362976

SCHEMBL31362976

COc1ccc(COC(CCCn2ccc3cc(Br)c(F)cc3c2=O)COC(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 2/20 0.39
▸ TNF P01375 4/20 0.34
▸ TBXAS1 P24557 7/20 0.34
▸ GRM2 Q14416 5/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL31362910 0.90 TNF (0.37) TNFGRM2HDAC3HDAC4HDAC1
SCHEMBL31362983 0.79 TIPARP (0.42) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL31388970 0.77 HTR2C (0.34) GRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL25319089 0.75 TIPARP (0.39) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL30550904 0.75 TIPARP (0.39) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL25319081 0.75 TIPARP (0.39) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL31388996 0.75 PSMB1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31362927 0.75 HTR2C (0.32) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL25324896 0.72 PSMB1 (0.41) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL2332782 0.72 LMNA (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066328-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2025-02-27 — — US disclosed
WO-2025024663-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-30 — — 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-20250066328-A1 PARP7 INHIBITORS PARP1, PARP2, PARP8 TIPARP 524/4885TNF 4864/4885TBXAS1 1939/4885

“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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