SCHEMBL4351049

SCHEMBL4351049

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C)c1C(=O)N1CCC(N2CC[C@H](O)C2)CC1.O[C@H]1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
SLC5A1 P13866 9/20 0.37
SCN9A Q15858 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
NOTUM Q6P988 1/20 0.36
HSD11B1 P28845 1/20 0.35
MGLL Q99685 1/20 0.35
SPR P35270 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCR5 P51681 1/20 0.34

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
SCHEMBL4356570 1.00 KMT2A (0.44) KMT2ASLC5A1SCN9ASCN10ANOTUM
SCHEMBL2201084 0.93 KMT2A (0.49) KMT2ASLC5A1SCN9ASCN10ANOTUM
SCHEMBL2201088 0.93 KMT2A (0.49) KMT2ASLC5A1SCN9ASCN10ANOTUM
SCHEMBL2202064 0.93 KMT2A (0.49) KMT2ASLC5A1SCN9ASCN10ANOTUM
SCHEMBL4352859 0.93 SCN9A (0.37) KMT2ASLC5A1SCN9ASCN10ANOTUM
SCHEMBL4351370 0.93 SCN9A (0.37) KMT2ASLC5A1SCN9ASCN10ANOTUM
SCHEMBL2202314 0.89 KMT2A (0.47) KMT2ASLC5A1SCN9ASCN10ANOTUM
SCHEMBL2202211 0.89 KMT2A (0.47) KMT2ASLC5A1SCN9ASCN10ANOTUM
SCHEMBL2199934 0.88 KMT2A (0.48) KMT2ASCN9ASCN10ANOTUMHSD11B1
SCHEMBL2203158 0.88 KMT2A (0.51) KMT2ASCN9ASCN10ANOTUMHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 KMT2A 4057/4885SLC5A1 896/4885SCN9A 3692/4885

“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.