SCHEMBL5542522

SCHEMBL5542522

CC(=O)NN1C(=O)c2ccccc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ POLB P06746 1/20 0.62
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ ALDH1A1 P00352 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ PTGS1 P23219 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ LMNA P02545 3/20 0.54
▸ CYP2C19 P33261 2/20 0.53
▸ PKM P14618 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ SCN2A Q99250 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49

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
SCHEMBL11714777 0.83 L3MBTL1 (0.71) RAB9AL3MBTL1NPC1POLBMEN1
SCHEMBL11530550 0.83 ALDH1A1 (0.61) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL7533415 0.81 ALDH1A1 (0.65) RAB9AL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1512585 0.81 MEN1 (0.62) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL11530824 0.80 MEN1 (0.50) RAB9AL3MBTL1NPC1POLBMEN1
SCHEMBL6846339 0.80 CES1 (0.57) RAB9AL3MBTL1NPC1POLBMEN1
SCHEMBL22649378 0.79 ALDH1A1 (0.58) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL17690051 0.79 ALDH1A1 (0.58) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL22633970 0.79 ALDH1A1 (0.62) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL13154822 0.79 ALDH1A1 (0.53) RAB9AL3MBTL1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3065778-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL DISEASES WITH PDE4 MODULATORS Celgene Corporation (US) 2016-09-14 — — EP disclosed
WO-2015069711-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL DISEASES WITH PDE4 MODULATORS CELGENE CORPORATION (US) 2015-05-14 — — WO disclosed
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 — — US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 — — 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 (2 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-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB RAB9A 2736/4885L3MBTL1 1693/4885NPC1 1874/4885
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, PER2, CRY1 RAB9A 3521/4885L3MBTL1 4882/4885NPC1 4560/4885

“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.

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