SCHEMBL2200230

SCHEMBL2200230

Cc1nn(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(C)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.47
L3MBTL1 Q9Y468 7/20 0.47
EPHX2 P34913 2/20 0.46
MGLL Q99685 2/20 0.43
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CHRM2 P08172 2/20 0.42
F10 P00742 2/20 0.42
MBTD1 Q05BQ5 2/20 0.42
TP53BP1 Q12888 2/20 0.42
L3MBTL4 Q8NA19 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
OPRK1 P41145 1/20 0.42
PHF20 Q9BVI0 1/20 0.42
MORF4L1 Q9UBU8 1/20 0.42

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
SCHEMBL2202869 0.92 L3MBTL1 (0.48) L3MBTL3L3MBTL1EPHX2KMT2ANPC1
SCHEMBL2197199 0.92 CYP3A4 (0.47) L3MBTL3L3MBTL1KMT2ANPC1RAB9A
SCHEMBL2202742 0.86 KMT2A (0.50) L3MBTL3L3MBTL1KMT2AMBTD1TP53BP1
SCHEMBL2201149 0.83 KMT2A (0.44) L3MBTL3L3MBTL1KMT2ACHRM2MBTD1
SCHEMBL2200314 0.83 KMT2A (0.44) L3MBTL3L3MBTL1EPHX2KMT2AMBTD1
SCHEMBL2200316 0.83 KMT2A (0.44) L3MBTL3L3MBTL1EPHX2KMT2AMBTD1
SCHEMBL2201503 0.82 KMT2A (0.43) L3MBTL3L3MBTL1KMT2AMBTD1TP53BP1
SCHEMBL2201497 0.82 KMT2A (0.43) L3MBTL3L3MBTL1KMT2AMBTD1TP53BP1
Hydrochloric Acid SCHEMBL2201681 0.79 KMT2A (0.51) L3MBTL3L3MBTL1KMT2AMBTD1TP53BP1
SCHEMBL2201040 0.79 CYP3A4 (0.50) L3MBTL3L3MBTL1KMT2AMBTD1TP53BP1

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 9 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
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP 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
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO 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 L3MBTL3 4146/4885L3MBTL1 4149/4885EPHX2 1452/4885

“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.