SCHEMBL4875500

SCHEMBL4875500

COc1cccc(OC)c1-n1cc(C(=NOC2CCN(C)CC2)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
HSD11B1 P28845 4/20 0.36
LMNA P02545 2/20 0.36
ACKR3 P25106 1/20 0.35
HTR1F P30939 2/20 0.34
APLNR P35414 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
GPR6 P46095 1/20 0.33

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
SCHEMBL4875497 1.00 KMT2A (0.40) KMT2AHSD11B1LMNAACKR3HTR1F
SCHEMBL4874077 0.95 KMT2A (0.38) KMT2AHSD11B1LMNAACKR3HTR1F
SCHEMBL4874083 0.95 KMT2A (0.38) KMT2AHSD11B1LMNAACKR3HTR1F
SCHEMBL4869380 0.92 KMT2A (0.41) KMT2AACKR3HTR1F
SCHEMBL4868793 0.92 KMT2A (0.41) KMT2AACKR3HTR1F
SCHEMBL4868797 0.92 KMT2A (0.41) KMT2AACKR3HTR1F
SCHEMBL4879588 0.91 KMT2A (0.37) KMT2AHSD11B1LMNAACKR3ALDH1A1
SCHEMBL4879583 0.91 KMT2A (0.37) KMT2AHSD11B1LMNAACKR3ALDH1A1
SCHEMBL4875287 0.90 KMT2A (0.40) KMT2AHSD11B1ACKR3HTR1FGPR6
SCHEMBL4875278 0.90 KMT2A (0.40) KMT2AHSD11B1ACKR3HTR1FGPR6

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 KMT2A 3886/4885HSD11B1 544/4885LMNA 2177/4885

“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.