SCHEMBL3049978

SCHEMBL3049978

CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3cccc(Cl)c3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.39
STS P08842 1/20 0.33
LMNA P02545 1/20 0.33
BDKRB1 P46663 1/20 0.32
NR1H3 Q13133 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 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
SCHEMBL3048077 0.95 NR1H2 (0.34) NR1H2LMNANR1H3
SCHEMBL3044012 0.93 NR1H2 (0.37) NR1H2LMNABDKRB1
SCHEMBL3039560 0.93 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3047662 0.92 NR1H2 (0.37) NR1H2NR1H3BRD4CREBBP
SCHEMBL3047451 0.92 NR1H2 (0.40) NR1H2
SCHEMBL3043784 0.92 BDKRB1 (0.34) NR1H2BDKRB1BRD4CREBBP
SCHEMBL3047368 0.91 HTR6 (0.38) NR1H2BDKRB1
SCHEMBL3040294 0.91 SOS1 (0.34) NR1H2LMNANR1H3
SCHEMBL3040282 0.91 NR1H2 (0.33) NR1H2LMNABRD4
SCHEMBL3040219 0.91 NR1H2 (0.34) NR1H2STSNR1H3BRD4CREBBP

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-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
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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 NR1H2 21/4885STS 2526/4885LMNA 2965/4885

“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.