SCHEMBL2199925

SCHEMBL2199925

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C)c1C(=O)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.43
MCHR1 Q99705 2/20 0.43
SCN9A Q15858 2/20 0.41
MEN1 O00255 1/20 0.41
ELANE P08246 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
HSD11B1 P28845 1/20 0.40
CNR2 P34972 1/20 0.40
LDHA P00338 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL2201907 0.92 KMT2A (0.52) KMT2AMCHR1SCN9AL3MBTL3L3MBTL1
SCHEMBL2200707 0.91 KMT2A (0.52) KMT2AMEN1L3MBTL3L3MBTL1HSD11B1
SCHEMBL2203158 0.90 KMT2A (0.51) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2200244 0.88 KMT2A (0.55) KMT2ASCN9AMEN1MAPTRAB9A
SCHEMBL2204251 0.88 ELANE (0.48) KMT2AKDM4EALDH1A1SCN9AMEN1
SCHEMBL2201084 0.87 KMT2A (0.49) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2199358 0.87 KMT2A (0.49) KMT2AKDM4EALDH1A1SCN9ASCN10A
SCHEMBL2202064 0.87 KMT2A (0.49) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2201088 0.87 KMT2A (0.49) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2201648 0.87 KMT2A (0.49) KMT2AHSD11B1CNR2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
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 4057/4885KDM4E 3694/4885ALDH1A1 1476/4885

“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.