SCHEMBL6358875

SCHEMBL6358875

[O-][n+]1cccc2cc(OCCn3ccnn3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
NCF1 P14598 2/20 0.33
ACHE P22303 2/20 0.33
CYP19A1 P11511 2/20 0.33
HRH3 Q9Y5N1 3/20 0.32
HRH1 P35367 1/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL23453280 0.78 KDM4E (0.59) TDP1KDM4EMAPK1NCF1ACHE
SCHEMBL6358473 0.78 MCL1 (0.43) ATP4AATP4BTDP1KDM4ESLC6A2
SCHEMBL6353536 0.75 NPC1 (0.53) TDP1KDM4EMAPK1ACHEHRH3
SCHEMBL23412203 0.73 KDM4E (0.57) TDP1KDM4EMAPK1NCF1ACHE
SCHEMBL6359779 0.72 KDM4E (0.54) KDM4ENPC1RAB9A
SCHEMBL2439028 0.72 TSHR (0.46) TDP1KDM4EMAPK1HRH3PPARG
SCHEMBL3112298 0.72 TBXAS1 (0.53) ATP4AATP4BCYP19A1NPC1RAB9A
SCHEMBL15579116 0.69 MAPK1 (0.55) ATP4AATP4BKDM4EMAPK1CYP19A1
SCHEMBL29480048 0.69 LTA4H (0.45) ATP4AATP4BCYP19A1HRH3NPC1
SCHEMBL13246360 0.69 QPCT (0.50) ATP4AATP4BKDM4ECYP19A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-04-28 US disclosed
EP-1396490-A1 3-QUINOLINE-2-(1H)-YLIDENEINDOLIN-2-ONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 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-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative KDR, FLT4, FLT1 ATP4A 1429/4885ATP4B 1991/4885TDP1 4372/4885

“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.