SCHEMBL1601240

SCHEMBL1601240

CCOC(=O)NNC(=O)Nc1ccccc1C

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 3/20 0.56
GAA P10253 2/20 0.54
ITGB3 P05106 2/20 0.53
ITGAV P06756 2/20 0.53
ITGB1 P05556 1/20 0.53
ITGA5 P08648 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DDX3X O00571 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL30593915 0.85 NPC1 (0.71) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL69360 0.85 NPC1 (0.71) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL10419324 0.81 GAA (0.68) NPC1RAB9APOLBGAASMN1; SMN2
SCHEMBL10695262 0.81 MAPT (0.49) NPC1RAB9APOLBGAASMN1; SMN2
SCHEMBL16446577 0.80 KMT2A (0.60) NPC1RAB9APOLBGAASMN1; SMN2
Urethane SCHEMBL10734204 0.78 NPC1 (0.61) NPC1RAB9APOLBGAASMN1; SMN2
SCHEMBL1275926 0.77 RAB9A (0.75) NPC1RAB9APOLBGAAITGB3
SCHEMBL23727265 0.77 EPHX1 (0.65) NPC1RAB9APOLBGAAALDH1A1
SCHEMBL28401182 0.76 ALDH1A1 (0.72) NPC1RAB9APOLBGAASMN1; SMN2
SCHEMBL31649002 0.76 GAA (0.71) NPC1RAB9AGAASMN1; SMN2ALDH1A1

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-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP 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 NPC1 4360/4885RAB9A 2499/4885POLB 3602/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A NPC1 4360/4885RAB9A 2499/4885POLB 3602/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B NPC1 3717/4885RAB9A 4338/4885POLB 3891/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A NPC1 4360/4885RAB9A 2499/4885POLB 3602/4885

“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.