SCHEMBL3044144

SCHEMBL3044144

Cc1ccc(S(=O)(=O)Oc2ccc(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c3c2CNC3=O)cc1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.33
HRH3 Q9Y5N1 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
BRD4 O60885 2/20 0.30
BRD9 Q9H8M2 2/20 0.30
NR1H3 Q13133 2/20 0.30
BDKRB1 P46663 1/20 0.30

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
SCHEMBL3040282 0.95 NR1H2 (0.33) NR1H2HRH3IDO1TDO2IDO2
SCHEMBL3047509 0.94 NR1H2 (0.32) NR1H2IDO1TDO2IDO2NR1H3
SCHEMBL3034029 0.93 NR1H2 (0.36) NR1H2ATRATRIPBDKRB1
SCHEMBL3045896 0.92 MEN1 (0.34) NR1H2
SCHEMBL3042182 0.92 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3043784 0.91 BDKRB1 (0.34) NR1H2HRH3BRD4BDKRB1
SCHEMBL3044012 0.91 NR1H2 (0.37) NR1H2BDKRB1
SCHEMBL3040414 0.91 NR1H2 (0.34) NR1H2NR1H3BDKRB1
SCHEMBL3046531 0.91 SMN1; SMN2 (0.35) NR1H2NR1H3
SCHEMBL3039560 0.91 NR1H2 (0.40) NR1H2NR1H3

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 21/4885HRH3 229/4885IDO1 1683/4885

“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.