SCHEMBL3040282

SCHEMBL3040282

Cc1ccc(S(=O)(=O)Oc2ccc(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c3c2CNC3=O)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.33
TBK1 Q9UHD2 2/20 0.31
BRD4 O60885 2/20 0.31
BRD9 Q9H8M2 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
IDO2 Q6ZQW0 1/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 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
SCHEMBL3043784 0.95 BDKRB1 (0.34) NR1H2TBK1BRD4HRH3POLB
SCHEMBL3044144 0.95 NR1H2 (0.33) NR1H2BRD4BRD9HRH3IDO1
SCHEMBL3040294 0.94 SOS1 (0.34) NR1H2TBK1LMNAIDO1TDO2
SCHEMBL3047509 0.93 NR1H2 (0.32) NR1H2TBK1IDO1TDO2IDO2
SCHEMBL3044012 0.93 NR1H2 (0.37) NR1H2LMNA
SCHEMBL3034029 0.92 NR1H2 (0.36) NR1H2ATRATRIP
SCHEMBL3048077 0.92 NR1H2 (0.34) NR1H2TBK1LMNA
SCHEMBL3049978 0.91 NR1H2 (0.39) NR1H2BRD4LMNA
SCHEMBL3045896 0.91 MEN1 (0.34) NR1H2
SCHEMBL3042182 0.91 NR1H2 (0.40) NR1H2

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 21/4885TBK1 3936/4885BRD4 47/4885

“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.