SCHEMBL2845806

SCHEMBL2845806

CC(Cc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.79
KMT2A Q03164 3/20 0.79
NPC1 O15118 2/20 0.79
RAB9A P51151 2/20 0.79
CYP3A4 P08684 3/20 0.61
TSHR P16473 2/20 0.61
MAPK1 P28482 2/20 0.59
MME P08473 1/20 0.59
ACE P12821 1/20 0.59
ALDH1A1 P00352 3/20 0.55
MAPT P10636 4/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
ATM Q13315 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL26503521 0.90 KMT2A (0.76) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL19316158 0.89 NPC1 (0.74) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL2610082 0.89 MEN1 (0.74) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL23395774 0.86 NPC1 (0.70) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL14407328 0.85 CYP3A4 (0.65) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL15314108 0.85 CYP3A4 (0.65) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL15314129 0.85 CYP3A4 (0.65) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL26503526 0.85 RAB9A (0.68) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL23176654 0.85 MEN1 (0.68) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL27519909 0.85 RAB9A (0.60) MEN1KMT2ANPC1RAB9ACYP3A4

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-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-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 MEN1 3489/4885KMT2A 2544/4885NPC1 4495/4885

“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.