SCHEMBL3048878

SCHEMBL3048878

CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3cccc4cccnc34)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
MAPK1 P28482 4/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
NR1H2 P55055 7/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTT P42858 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
LMNA P02545 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
SCHEMBL3039284 0.90 NR1H2 (0.37) NR1H2BRD4CREBBP
SCHEMBL3033796 0.90 NR1H2 (0.36) KMT2ANR1H2MEN1BRD4CREBBP
SCHEMBL3042556 0.89 NR1H2 (0.38) NR1H2BRD4CREBBP
SCHEMBL3047986 0.89 HTR6 (0.37) NR1H2BRD4CREBBPLMNAALDH1A1
SCHEMBL3047031 0.88 NR1H2 (0.39) NR1H2BRD4CREBBP
SCHEMBL3046639 0.88 NR1H2 (0.35) NR1H2PIM1PIM2BRD4CREBBP
SCHEMBL3039560 0.88 NR1H2 (0.40) NR1H2
SCHEMBL3039690 0.87 NR1H2 (0.40) NR1H2BRD4CREBBP
SCHEMBL3052548 0.87 NR1H2 (0.41) NR1H2BRD4CREBBP
SCHEMBL3040219 0.87 NR1H2 (0.34) NR1H2BRD4CREBBP

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 SLC2A1 3389/4885MAPK1 1469/4885PKM 2860/4885

“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.