SCHEMBL3044227

SCHEMBL3044227

CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(C(=O)O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ATR Q13535 2/20 0.37
ATRIP Q8WXE1 2/20 0.37
NR1H2 P55055 16/20 0.36
NR1H3 Q13133 2/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL3043650 0.91 BRD4 (0.38) BRD4CREBBPATRATRIPNR1H2
SCHEMBL3041591 0.89 MEN1 (0.43) BRD4CREBBPATRATRIPNR1H2
SCHEMBL3046089 0.88 CCNA2 (0.40) BRD4CREBBPATRATRIPNR1H2
SCHEMBL3034386 0.87 BRD4 (0.51) BRD4CREBBPNR1H2NR1H3CA12
SCHEMBL3043890 0.87 BRD4 (0.38) BRD4CREBBPATRATRIPNR1H2
SCHEMBL3047590 0.86 NR1H2 (0.45) BRD4CREBBPATRATRIPNR1H2
SCHEMBL3039340 0.85 BRD4 (0.37) BRD4CREBBPATRATRIPNR1H2
SCHEMBL3041891 0.84 NR1H2 (0.38) BRD4CREBBPATRATRIPNR1H2
SCHEMBL3046659 0.84 NR1H2 (0.44) BRD4CREBBPNR1H2NR1H3
SCHEMBL3037160 0.84 ATR (0.40) BRD4CREBBPATRATRIPNR1H2

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 BRD4 47/4885CREBBP 904/4885ATR 1385/4885

“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.