SCHEMBL2845811

SCHEMBL2845811

CC(Cc1ccccc1)(C(N)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
RECQL P46063 1/20 0.51
MAPK1 P28482 1/20 0.50
HIF1A Q16665 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC6A2 P23975 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP2C19 P33261 4/20 0.47
CYP2C9 P11712 2/20 0.47
KIF11 P52732 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNN4 O15554 2/20 0.41
TRPA1 O75762 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL2202821 0.89 MAPT (0.43) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL5606168 0.85 CYP2C19 (0.50) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL3271614 0.85 HIF1A (0.52) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL29114282 0.83 CYP1A2 (0.49) MAPTKMT2ACYP1A2CYP3A4RECQL
Methane SCHEMBL27483233 0.83 HIF1A (0.50) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL10483819 0.82 ALOX15 (0.47) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL4560574 0.82 MAPT (0.52) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL11220671 0.81 KIF11 (0.50) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL2030597 0.81 MAPT (0.59) MAPTKMT2ACYP1A2CYP3A4RECQL
SCHEMBL1024478 0.81 MAPT (0.59) MAPTKMT2ACYP1A2CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736330-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
US-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-10-28 US disclosed
EP-1853581-B1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-06-02 EP disclosed
CN-101128453-A 2-sulfinyl-and 2-sulfonyl-substituted imidazole derivatives and their use as cytokine inhibitors MERCKLE GMBH (DE) 2008-02-20 CN disclosed
EP-1853581-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2007-11-14 EP disclosed
WO-2006098554-A1 NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-21 WO disclosed
WO-2006089798-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2006-08-31 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-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B MAPT 4464/4885KMT2A 2544/4885CYP1A2 268/4885

“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.