SCHEMBL2201890

SCHEMBL2201890

Cc1nn(-c2cccc(Cl)c2)c(C)c1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
PKM P14618 1/20 0.57
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
PDE4D Q08499 1/20 0.51
KDM4E B2RXH2 2/20 0.50
NOTUM Q6P988 1/20 0.50
NPC1 O15118 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PPP1CA P62136 1/20 0.49
POLB P06746 4/20 0.48
HPGD P15428 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL13982920 0.86 HPGD (0.56) LMNAPKMALDH1A1MEN1KMT2A
SCHEMBL2938583 0.84 MEN1 (0.69) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL2197832 0.84 EGLN1 (0.54) LMNAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL27920237 0.84 KMT2A (0.63) LMNAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2202649 0.84 LMNA (0.53) LMNAPKMALDH1A1MEN1KMT2A
SCHEMBL2202646 0.84 LMNA (0.53) LMNAPKMALDH1A1MEN1KMT2A
SCHEMBL10357500 0.83 ALDH1A1 (0.59) LMNAPKMALDH1A1MEN1KMT2A
SCHEMBL8339369 0.83 LMNA (0.65) LMNAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL2200071 0.82 PDE4D (0.74) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL2201331 0.82 LMNA (0.60) LMNAALDH1A1MEN1KMT2ARAB9A

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
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN 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

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 4701/4885PKM 1854/4885ALDH1A1 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.