SCHEMBL6359779

SCHEMBL6359779

[O-][n+]1cccc2cc(OCCN3CCOCC3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
LTA4H P09960 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL4420934 0.82 NPC1 (0.65) KDM4EALDH1A1NPC1RAB9APDGFRB
SCHEMBL23453280 0.79 KDM4E (0.59) KDM4ENPC1RAB9A
SCHEMBL6359781 0.77 ACHE (0.37) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL6353536 0.76 NPC1 (0.53) KDM4ENPC1RAB9A
SCHEMBL14578276 0.74 ALDH1A1 (0.69) KDM4EALDH1A1NPC1RAB9ALTA4H
SCHEMBL23412203 0.74 KDM4E (0.57) KDM4ENPC1RAB9A
SCHEMBL5442329 0.74 TSHR (0.66) KDM4EALDH1A1NPC1RAB9ALTA4H
SCHEMBL5443488 0.74 ALDH1A1 (0.62) KDM4EALDH1A1NPC1RAB9APDGFRB
SCHEMBL14570561 0.74 NPC1 (0.65) KDM4EALDH1A1NPC1RAB9ALTA4H
SCHEMBL5443463 0.73 ALDH1A1 (0.58) KDM4EALDH1A1NPC1RAB9APDGFRB

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 KDM4E 2192/4885ALDH1A1 1986/4885NPC1 3871/4885

“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.