SCHEMBL3044048

SCHEMBL3044048

CS(=O)(=O)Oc1ccc(I)c2c1CNC2=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP3K9 P80192 1/20 0.31
MAP3K11 Q16584 1/20 0.31
CYP1A2 P05177 1/20 0.30
ALPL P05186 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3038567 0.81 KDM4E (0.43) KDM4EKMT2AMAP3K9MAP3K11HSD17B10
SCHEMBL3034119 0.75 NQO2 (0.42)
SCHEMBL3034052 0.73 BRD4 (0.41) KDM4EMAP3K9MAP3K11HSD17B10
SCHEMBL3039244 0.73 PARP1 (0.36) MAP3K9MAP3K11
SCHEMBL3046629 0.70 MAP3K9 (0.37) MAP3K9MAP3K11
SCHEMBL3046642 0.69 MAP3K9 (0.36) MAP3K9MAP3K11
SCHEMBL3048539 0.69 CLK1 (0.43) MAP3K9MAP3K11
SCHEMBL20582827 0.65 KDM4E (0.47) KDM4EKMT2ACYP1A2ALPLTSHR
SCHEMBL3039949 0.65 MAP3K9 (0.50) MAP3K9MAP3K11
SCHEMBL3048189 0.64 CDK5 (0.62) KDM4EMAP3K9MAP3K11

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 KDM4E 488/4885KMT2A 320/4885MAP3K9 3221/4885

“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.