SCHEMBL4872623

SCHEMBL4872623

Cc1cc(C)c(-n2cc(/C(=N/OC3CCN(C)CC3)c3ccc(F)cc3F)ccc2=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
ACKR3 P25106 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
HTR7 P34969 2/20 0.34
POLB P06746 1/20 0.33
HTR1F P30939 3/20 0.33
GPR6 P46095 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ATM Q13315 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
SCHEMBL4872632 1.00 KMT2A (0.36) KMT2AACKR3SCN1ASCN2ASCN3A
SCHEMBL4874132 0.96 KMT2A (0.37) KMT2AACKR3SCN1ASCN2ASCN3A
SCHEMBL4879530 0.96 KMT2A (0.37) KMT2AACKR3SCN1ASCN2ASCN3A
SCHEMBL4874142 0.96 KMT2A (0.37) KMT2AACKR3SCN1ASCN2ASCN3A
SCHEMBL4875278 0.93 KMT2A (0.40) KMT2AACKR3SCN1ASCN2ASCN3A
SCHEMBL4875287 0.93 KMT2A (0.40) KMT2AACKR3SCN1ASCN2ASCN3A
SCHEMBL4869472 0.90 TP53 (0.33) KMT2APOLBGPR6
SCHEMBL4869460 0.90 TP53 (0.33) KMT2APOLBGPR6
SCHEMBL4868793 0.89 KMT2A (0.41) KMT2AACKR3SCN1ASCN2ASCN3A
SCHEMBL4868797 0.89 KMT2A (0.41) KMT2AACKR3SCN1ASCN2ASCN3A

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 3886/4885ACKR3 94/4885SCN1A 1855/4885

“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.