SCHEMBL3025899

SCHEMBL3025899

COc1cc(-c2ccc(I)cc2)c2nccn2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.39
AURKA O14965 4/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SYK P43405 3/20 0.37
SPTLC1 O15269 1/20 0.36
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
TMIGD3 P0DMS9 1/20 0.35
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TNKS O95271 1/20 0.35
KDR P35968 2/20 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
SCHEMBL3300218 0.72 CCNE1 (0.43) KDM4ENPC1RAB9ASPTLC1XDH
SCHEMBL6355228 0.72 AURKA (0.46) AURKASYKTMIGD3L3MBTL1CD63
SCHEMBL2129234 0.72 TNKS (0.43) AURKASYKSPTLC1XDHSLC22A12
SCHEMBL20125121 0.66 ACKR3 (0.43) ALDH1A3AURKAKDM4ENPC1ALDH1A1
SCHEMBL9788686 0.64 TNKS (0.46) KDM4ENPC1ALDH1A1GAARAB9A
SCHEMBL18613325 0.64 DYRK1A (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1369156 0.64 L3MBTL1 (0.51) ALDH1A3KDM4ENPC1ALDH1A1RAB9A
SCHEMBL7337736 0.63 TNKS (0.73) AURKAKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL454081 0.63 SPTLC1 (0.53) KDM4EALDH1A1GAASMN1; SMN2SPTLC1
SCHEMBL15828627 0.63 TNKS (0.45) ALDH1A3AURKASYKSPTLC1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216994-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-08-26 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 (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-20100216994-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME APBA1, APP, S100A4 ALDH1A3 2637/4885AURKA 3959/4885KDM4E 4486/4885

“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.