SCHEMBL6353536

SCHEMBL6353536

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACHE P22303 4/20 0.40
GPR84 Q9NQS5 3/20 0.36
PPARG P37231 1/20 0.36
HRH3 Q9Y5N1 5/20 0.35
DRD3 P35462 1/20 0.35
AGXT P21549 1/20 0.34

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 0.88 KDM4E (0.59) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL23412203 0.82 KDM4E (0.57) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL2439028 0.81 TSHR (0.46) KDM4EMAPK1TDP1PPARGHRH3
SCHEMBL14330631 0.78 CYP2C9 (0.43) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL3371655 0.78 ALOX5 (0.61) NPC1RAB9AACHEPPARG
SCHEMBL23412853 0.78 KDM4E (0.49) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL23412329 0.77 PDE3B (0.42) MAPTKDM4EACHEPPARG
SCHEMBL6359779 0.76 KDM4E (0.54) NPC1RAB9AKDM4E
SCHEMBL1289697 0.76 ACHE (0.67) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL6358875 0.75 ATP4A (0.39) NPC1MAPTRAB9ASMN1; SMN2KDM4E

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 NPC1 3871/4885MAPT 3729/4885RAB9A 1706/4885

“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.