SCHEMBL1600829

SCHEMBL1600829

NC(=O)C(=O)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.61
NR4A2 P43354 1/20 0.61
NR4A3 Q92570 1/20 0.61
MMP3 P08254 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
PTPN1 P18031 1/20 0.53
CDC25B P30305 1/20 0.53
PLK1 P53350 1/20 0.53
KMT2A Q03164 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 6/20 0.50
GAA P10253 3/20 0.50
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.47

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
SCHEMBL31151000 1.00 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29494693 0.87 NR4A1 (0.71) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL7218991 0.87 NR4A1 (0.71) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL6948199 0.86 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9614463 0.83 NR4A1 (0.65) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL43084 0.83 KDM4E (0.68) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29381201 0.83 KDM4E (0.68) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL11584015 0.82 KDM4E (0.73) NR4A1NR4A2NR4A3MMP3HDAC8
Hydrochloric Acid SCHEMBL3149083 0.81 KDM4E (0.66) NR4A1NR4A2NR4A3MMP3HDAC8
Ammonia Solution, Strong SCHEMBL1553414 0.81 KDM4E (0.66) NR4A1NR4A2NR4A3MMP3HDAC8

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
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
US-4118298-A PHOTOINITIATOR STAUFFER CHEMICAL COMPANY (US) 1978-10-03 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 NR4A1 4050/4885NR4A2 3701/4885NR4A3 3906/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A NR4A1 4050/4885NR4A2 3701/4885NR4A3 3906/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B NR4A1 2557/4885NR4A2 2338/4885NR4A3 2504/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A NR4A1 4050/4885NR4A2 3701/4885NR4A3 3906/4885

“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.