SCHEMBL1601239

SCHEMBL1601239

CCOC(=O)NNC(=O)Nc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPC1 O15118 4/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 3/20 0.53
CCR6 P51684 1/20 0.53
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PTGS2 P35354 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
SCHEMBL18025700 0.90 GAA (0.50) SMN1; SMN2ALDH1A1LMNARECQLHSD17B10
SCHEMBL10419324 0.87 GAA (0.68) SMN1; SMN2ALDH1A1LMNARECQLHSD17B10
SCHEMBL2228878 0.86 MEN1 (0.54) SMN1; SMN2ALDH1A1LMNANPC1MAPT
SCHEMBL19991711 0.84 MAPT (0.56) SMN1; SMN2ALDH1A1LMNANPC1MAPT
SCHEMBL1719720 0.84 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1LMNARECQLHSD17B10
SCHEMBL8646083 0.84 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1RECQLNPC1MAPT
SCHEMBL11085152 0.83 EPHX2 (0.58) ALDH1A1MAPTRAB9AGAAHTT
SCHEMBL23235926 0.82 LSS (0.51) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL15849830 0.81 MAPT (0.50) SMN1; SMN2ALDH1A1LMNANPC1MAPT
SCHEMBL10695262 0.80 MAPT (0.49) SMN1; SMN2ALDH1A1LMNAHSD17B10NPC1

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 9 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-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-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-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US 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 SMN1; SMN2 4806/4885ALDH1A1 1019/4885LMNA 4640/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A SMN1; SMN2 4806/4885ALDH1A1 1019/4885LMNA 4640/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B SMN1; SMN2 4623/4885ALDH1A1 611/4885LMNA 2703/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A SMN1; SMN2 4806/4885ALDH1A1 1019/4885LMNA 4640/4885

“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.