SCHEMBL2768451

SCHEMBL2768451

O=C(NCc1ccco1)c1cccc2c1CCc1cccc3[nH]nc-2c13

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 7/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 6/20 0.45
GAA P10253 2/20 0.45
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPK8 P45983 1/20 0.41

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
SCHEMBL2769349 0.88 ALDH1A1 (0.47) NPSR1ALDH1A1LMNAKDM4EHPGD
SCHEMBL2769418 0.80 ABL1 (0.46) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL2768810 0.80 KMT2A (0.50) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL2768466 0.79 NPSR1 (0.47) NPSR1ALDH1A1LMNAKDM4EHPGD
SCHEMBL2768161 0.77 KDR (0.50) ALDH1A1LMNAKDM4EHPGDGAA
SCHEMBL2768004 0.77 MAPK8 (0.52) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL2769382 0.74 NPC1 (0.44) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL6070403 0.74 SHMT2 (0.54) NPSR1ALDH1A1LMNAKDM4EHPGD
SCHEMBL2768700 0.70 MAPK10 (0.52) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL2771305 0.69 MAPK8 (0.57) ALDH1A1LMNAKDM4EHPGDGAA

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 NPSR1 3408/4885ALDH1A1 1751/4885LMNA 2969/4885

“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.