SCHEMBL3044248

SCHEMBL3044248

CC(C)(C)OC(=O)n1c(-c2ccc(OCc3ccccc3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HRH3 Q9Y5N1 5/20 0.38
NR1H2 P55055 6/20 0.37
NR1H3 Q13133 2/20 0.37
MCHR1 Q99705 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
S1PR5 Q9H228 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3047181 0.91 NR1H2 (0.37) MEN1KMT2AHRH3NR1H2NR1H3
SCHEMBL3047269 0.90 MEN1 (0.37) MEN1KMT2ANR1H2NR1H3LMNA
SCHEMBL3038196 0.90 NR1H2 (0.38) MEN1KMT2ANR1H2NR1H3
SCHEMBL3046959 0.89 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL3039560 0.89 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3050277 0.88 HRH3 (0.37) HRH3NR1H2NR1H3
SCHEMBL3048132 0.88 NR1H2 (0.35) NR1H2NR1H3
SCHEMBL3047413 0.87 NR1H2 (0.36) HRH3NR1H2NR1H3SMN1; SMN2
SCHEMBL3045879 0.87 HRH3 (0.38) HRH3NR1H2NR1H3MCHR1
SCHEMBL3039603 0.87 NR1H2 (0.33) MEN1KMT2ANR1H2NR1H3

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 MEN1 1165/4885KMT2A 320/4885HRH3 229/4885

“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.