SCHEMBL3584281

SCHEMBL3584281

CC(C)(C)c1ccc([N+](=O)[O-])c(SC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GLA P06280 1/20 0.42
CASP3 P42574 1/20 0.42
HTT P42858 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
ATM Q13315 2/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 3/20 0.38
TXNRD1 Q16881 2/20 0.38

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
SCHEMBL6222813 0.77 TSHR (0.55) ALDH1A1LMNAMAPTMAPK1NPC1
SCHEMBL13208348 0.77 AR (0.54) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL12724984 0.76 TDP1 (0.58) ALDH1A1LMNAMAPTMAPK1NPC1
SCHEMBL6640596 0.75 MAPT (0.55) ALDH1A1LMNAMAPTMAPK1NPC1
SCHEMBL13807646 0.75 MEN1 (0.39) ALDH1A1LMNAMAPTMAPK1CASP3
SCHEMBL12384891 0.74 MAPK1 (0.47) ALDH1A1LMNAMAPTMAPK1NPC1
SCHEMBL7007001 0.74 PDE7A (0.51) ALDH1A1LMNAMAPTHTTTDP1
SCHEMBL1414009 0.73 ALDH1A1 (0.47) ALDH1A1LMNAMAPTMAPK1NPC1
SCHEMBL6297719 0.73 TDP1 (0.58) ALDH1A1LMNAMAPTMAPK1NPC1
SCHEMBL3592615 0.73 NPC1 (0.49) ALDH1A1LMNAMAPTMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 ALDH1A1 971/4885LMNA 4877/4885MAPT 4292/4885

“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.