SCHEMBL4874121

SCHEMBL4874121

Cc1cccc(C(C)C)c1-n1cc(C(=NOC2CCN(C)CC2)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
ACKR3 P25106 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
SLC5A7 Q9GZV3 1/20 0.32
P2RX7 Q99572 1/20 0.32
HTR7 P34969 1/20 0.32
GPR6 P46095 1/20 0.31
HTR1F P30939 3/20 0.31
HSD11B1 P28845 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
C5AR1 P21730 2/20 0.30

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
SCHEMBL4874114 1.00 KMT2A (0.37) KMT2AACKR3HRH3SLC5A7P2RX7
SCHEMBL4877537 0.95 KMT2A (0.39) KMT2AACKR3HRH3SLC5A7P2RX7
SCHEMBL4877529 0.95 KMT2A (0.39) KMT2AACKR3HRH3SLC5A7P2RX7
SCHEMBL4875278 0.94 KMT2A (0.40) KMT2AACKR3HRH3HTR7GPR6
SCHEMBL4875287 0.94 KMT2A (0.40) KMT2AACKR3HRH3HTR7GPR6
SCHEMBL4868479 0.91 HTR1A (0.32) P2RX7
SCHEMBL4868473 0.91 HTR1A (0.32) P2RX7
SCHEMBL4874077 0.90 KMT2A (0.38) KMT2AACKR3GPR6HTR1FHSD11B1
SCHEMBL4874083 0.90 KMT2A (0.38) KMT2AACKR3GPR6HTR1FHSD11B1
SCHEMBL4877667 0.90 KMT2A (0.38) KMT2AACKR3P2RX7HTR1FHSD11B1

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 KMT2A 3886/4885ACKR3 94/4885HRH3 3264/4885

“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.