SCHEMBL4335954

SCHEMBL4335954

COc1c(C(=O)NCCCN2CCCC2=O)ccc2[nH]nc(-c3cccc(F)c3)c12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
RCE1 Q9Y256 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ATM Q13315 1/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
LMNA P02545 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42

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
SCHEMBL4341000 0.90 NPC1 (0.51) L3MBTL1NPC1RAB9ARCE1KDM4E
SCHEMBL4335955 0.88 RCE1 (0.54) L3MBTL1NPC1RCE1KDM4EALDH1A1
SCHEMBL4342237 0.83 NPC1 (0.51) L3MBTL1NPC1RAB9ARCE1KDM4E
SCHEMBL4332582 0.81 L3MBTL1 (0.51) L3MBTL1NPC1RAB9ARCE1KDM4E
SCHEMBL4348188 0.81 L3MBTL1 (0.51) L3MBTL1RCE1KDM4EALDH1A1HPGD
SCHEMBL4343211 0.81 MAP4K4 (0.45) LMNA
SCHEMBL6426340 0.81 L3MBTL1 (0.54) L3MBTL1NPC1RCE1KDM4EALDH1A1
SCHEMBL2861298 0.77 DYRK1A (0.49) HPGD
SCHEMBL2864651 0.75 APEX1 (0.52) KDM4EALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL4339183 0.74 HPGD (0.48) L3MBTL1NPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 L3MBTL1 2399/4885NPC1 1164/4885RAB9A 2355/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 L3MBTL1 2399/4885NPC1 1164/4885RAB9A 2355/4885

“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.