SCHEMBL3158232

SCHEMBL3158232

[CH2]COc1cccc(I)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.42
IDO1 P14902 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
PRSS1 P07477 4/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6481122 0.83 IDO1 (0.41) APPIDO1PRSS1HTR1AHTR7
SCHEMBL21177828 0.80 APP (0.43) APPIDO1SLC6A2SLC6A4SLC6A3
SCHEMBL22345190 0.80 APP (0.43) APPIDO1SLC6A2SLC6A4SLC6A3
SCHEMBL21246500 0.78 APP (0.42) APPIDO1SLC6A2SLC6A4SLC6A3
SCHEMBL5743833 0.78 TP53 (0.59) APPCYP1A2CYP2D6CYP2C19TP53
SCHEMBL22444685 0.78 KDM4E (0.45) RAB9AALDH1A1SMN1; SMN2
SCHEMBL10458635 0.75 KCNH2 (0.44) APPPRSS1HTR1AHTR7
SCHEMBL17858493 0.75 NPC1 (0.43) APPRAB9APRSS1HTR1AHTR7
SCHEMBL8552100 0.75 KMT2A (0.59) RAB9AALDH1A1TSHRSMN1; SMN2
SCHEMBL22296966 0.75 KCNA3 (0.64) PRSS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed
CN-111170991-A Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2020-05-19 CN disclosed
CN-106660991-B Antiproliferative compounds and methods of use thereof 细胞基因公司 2020-03-13 CN disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 APP 3353/4885IDO1 1716/4885SLC6A2 3658/4885

“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.