SCHEMBL2769753

SCHEMBL2769753

CC(C)C(CO)NC(=O)c1ccc2[nH]nc3c2c1CCc1ccccc1-3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 3/20 0.51
GSR P00390 1/20 0.40
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
MAPT P10636 7/20 0.37
POLB P06746 5/20 0.37
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KPNA2 P52292 1/20 0.37
LMNA P02545 4/20 0.35
HPGD P15428 4/20 0.35
TP53 P04637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL2769382 0.87 NPC1 (0.44) NPC1RAB9AGSRALDH1A1KDM4E
SCHEMBL2771074 0.79 NPC1 (0.46) NPC1RAB9AGSRALDH1A1KDM4E
SCHEMBL2768870 0.78 GSR (0.56) NPC1RAB9AGSRALDH1A1KDM4E
SCHEMBL2769034 0.78 ALDH1A1 (0.46) NPC1RAB9AGSRALDH1A1KDM4E
SCHEMBL2769349 0.74 ALDH1A1 (0.47) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL2768394 0.74 KMT2A (0.49) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL2769231 0.72 MAPK10 (0.49) NPC1RAB9AGSRALDH1A1KDM4E
SCHEMBL4341086 0.70 MAPK1 (0.41) MAPK1
SCHEMBL4343373 0.69 ROCK2 (0.40) MAPK1
SCHEMBL13198263 0.68 MKNK1 (0.48) NPC1RAB9AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-20060111419-A1 Novel fused indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-25 US disclosed
EP-1479670-A1 NOVEL FUSED RING INDAZOLE COMPOUNDS Eisai Co., Ltd. (JP) 2004-11-24 EP 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 (1 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-20060111419-A1 Novel fused indazole compounds MAP2K3, MAP3K11, MAP2K2 NPC1 1991/4885RAB9A 1332/4885GSR 2546/4885

“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.