SCHEMBL4879571

SCHEMBL4879571

O=c1ccc(/C(=N\OC2CCN(CCO)CC2)c2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
MAPK14 Q16539 1/20 0.34
HTR6 P50406 2/20 0.33
GAA P10253 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
ALDH1A1 P00352 1/20 0.32
P2RX7 Q99572 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
SCHEMBL4879578 1.00 HSD11B1 (0.35) HSD11B1MAPK14HTR6GAAHTR2A
SCHEMBL4876842 0.92 CNR1 (0.36) HSD11B1MAPK14P2RX7
SCHEMBL4876838 0.92 CNR1 (0.36) HSD11B1MAPK14P2RX7
SCHEMBL4877782 0.91 MAPK14 (0.38) HSD11B1MAPK14GAAALDH1A1
SCHEMBL4877778 0.91 MAPK14 (0.38) HSD11B1MAPK14GAAALDH1A1
SCHEMBL4876860 0.91 ACKR3 (0.39) HSD11B1MAPK14
SCHEMBL4876865 0.91 ACKR3 (0.39) HSD11B1MAPK14
SCHEMBL4874578 0.90 MAPK14 (0.39) HSD11B1MAPK14HTR2AHTR2CALDH1A1
SCHEMBL4874582 0.90 MAPK14 (0.39) HSD11B1MAPK14HTR2AHTR2CALDH1A1
SCHEMBL4876874 0.90 KMT2A (0.40) HSD11B1MAPK14P2RX7

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 2 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 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 544/4885MAPK14 13/4885HTR6 2919/4885

“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.