SCHEMBL3628740

SCHEMBL3628740

COc1cc(-c2cn3cc(I)ccc3n2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 5/20 0.57
NPC1 O15118 5/20 0.57
HPGD P15428 4/20 0.57
MAPT P10636 4/20 0.57
HSD17B10 Q99714 3/20 0.57
PKM P14618 3/20 0.57
TP53 P04637 2/20 0.57
MAPK1 P28482 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
ALOX15 P16050 1/20 0.57
HTT P42858 1/20 0.57
TSHR P16473 2/20 0.55
GFER P55789 3/20 0.53
APP P05067 2/20 0.53
POLB P06746 1/20 0.53

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
Bromide SCHEMBL3629507 0.99 RAB9A (0.57) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL13198290 0.85 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL12848509 0.83 RAB9A (0.76) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
Bromide SCHEMBL6525392 0.82 RAB9A (0.79) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL10803614 0.80 RAB9A (0.51) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL3625931 0.79 RAB9A (0.57) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL2901138 0.78 ALDH1A3 (0.75) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL3629504 0.77 APP (0.57) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL1726415 0.76 APP (0.66) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL15177306 0.75 APP (0.73) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399672-B2 Compound having affinity for amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2013-03-19 US disclosed
US-20100292479-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-11-18 US disclosed
EP-2213671-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID Nihon Medi-Physics Co., Ltd. (JP) 2010-08-04 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-20100292479-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APP, APBA1, BACE1 RAB9A 2413/4885SMN1; SMN2 1014/4885KDM4E 3919/4885

“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.