SCHEMBL4877974

SCHEMBL4877974

COc1cccc(OC)c1-n1cc(C(=NOC2CCNCC2)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
BRPF1 P55201 1/20 0.32
CPS1 P31327 2/20 0.32
APLNR P35414 2/20 0.32
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL4877967 1.00 HSD11B1 (0.34) HSD11B1LMNAKMT2AMAPK13MAPK12
SCHEMBL4868877 0.95 GPR6 (0.34) HSD11B1LMNAKMT2AMAPK13MAPK12
SCHEMBL4868872 0.95 GPR6 (0.34) HSD11B1LMNAKMT2AMAPK13MAPK12
SCHEMBL4878100 0.91 MAPK14 (0.37) MAPK13MAPK12MAPK11MAPK14HTR1A
SCHEMBL4878095 0.91 MAPK14 (0.37) MAPK13MAPK12MAPK11MAPK14HTR1A
SCHEMBL4877654 0.91 HSD11B1 (0.35) HSD11B1LMNAKMT2AALDH1A1TSHR
SCHEMBL4877659 0.91 HSD11B1 (0.35) HSD11B1LMNAKMT2AALDH1A1TSHR
SCHEMBL4871343 0.90 HTR1A (0.34) HSD11B1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4871335 0.90 HTR1A (0.34) HSD11B1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4875500 0.90 KMT2A (0.40) HSD11B1LMNAKMT2AALDH1A1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US claimed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP claimed
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 HSD11B1 544/4885LMNA 2177/4885KMT2A 3886/4885

“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.