SCHEMBL2201331

SCHEMBL2201331

Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
RPA1 P27694 8/20 0.52
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
GAA P10253 1/20 0.51
NOTUM Q6P988 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
CNR1 P21554 1/20 0.45
AR P10275 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4230315 0.84 AR (0.64) LMNAAR
SCHEMBL8339369 0.83 LMNA (0.65) LMNAPOLBMEN1KMT2AL3MBTL1
SCHEMBL2199198 0.82 PDE4D (0.67) NOTUMALDH1A1SIGMAR1MAPTRAB9A
SCHEMBL2201890 0.82 LMNA (0.64) LMNAPOLBMEN1KMT2AL3MBTL1
SCHEMBL2398084 0.78 L3MBTL1 (0.50) LMNARPA1L3MBTL1GAAALDH1A1
SCHEMBL2938583 0.78 MEN1 (0.69) POLBMEN1KMT2AL3MBTL1TDP1
SCHEMBL2857382 0.77 LMNA (0.53) LMNAPOLBMEN1KMT2AL3MBTL1
SCHEMBL6070720 0.77 PDE4D (0.68) LMNAPOLBMEN1KMT2AL3MBTL1
SCHEMBL21555940 0.77 GAA (0.52) RPA1L3MBTL1GAAALDH1A1CNR1
SCHEMBL15331881 0.76 POLB (0.57) LMNAPOLBMEN1KMT2AL3MBTL1

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
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
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 LMNA 4701/4885RPA1 3746/4885POLB 4350/4885

“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.