SCHEMBL1600191

SCHEMBL1600191

CC(C)(C)c1cc(Cl)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.61
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
HIF1A Q16665 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GALR3 O60755 1/20 0.43
TSHR P16473 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 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
SCHEMBL690829 0.87 GPR35 (0.78) GPR35ALDH1A1MEN1KMT2ATDP1
SCHEMBL1024025 0.83 CYP3A4 (0.66) GPR35ALDH1A1MEN1KMT2ATDP1
SCHEMBL1600086 0.82 GPR35 (0.65) GPR35ALDH1A1MEN1KMT2ATDP1
SCHEMBL8371548 0.82 GPR35 (0.54) GPR35ALDH1A1MEN1KMT2ATDP1
SCHEMBL15851029 0.81 GPR35 (0.68) GPR35ALDH1A1MEN1KMT2ATDP1
SCHEMBL397532 0.81 GPR35 (0.62) GPR35ALDH1A1MEN1KMT2ATDP1
SCHEMBL4940622 0.80 ALDH1A1 (0.66) GPR35ALDH1A1MEN1KMT2ATDP1
SCHEMBL5732555 0.79 GPR35 (0.61) GPR35ALDH1A1MEN1KMT2ATDP1
SCHEMBL70416 0.78 GPR35 (0.59) GPR35ALDH1A1MEN1KMT2ATDP1
SCHEMBL1600577 0.77 GPR35 (0.57) GPR35ALDH1A1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
CN-102060806-A Cytokine inhibitors ITHERX PHARMACEUTICALS INC 2011-05-18 CN disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 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 (4 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A GPR35 1850/4885ALDH1A1 1019/4885MEN1 4312/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A GPR35 1850/4885ALDH1A1 1019/4885MEN1 4312/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B GPR35 1612/4885ALDH1A1 611/4885MEN1 4645/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A GPR35 1850/4885ALDH1A1 1019/4885MEN1 4312/4885

“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.