SCHEMBL6556522

SCHEMBL6556522

COc1ccc(C#N)cc1CCNc1ccc(C(=O)N2CCCC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
GAA P10253 2/20 0.41
SLC6A9 P48067 1/20 0.41
CDK1 P06493 1/20 0.40
HIF1A Q16665 1/20 0.40
FASN P49327 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6556557 0.88 CDK1 (0.42) ACACBSLC6A9CDK1FASNALDH1A1
SCHEMBL5091241 0.85 ALDH1A1 (0.45) ACACBGAAMEN1KMT2AALDH1A1
SCHEMBL6556808 0.76 ACACB (0.53) ACACBGAASLC6A9FASNKMT2A
SCHEMBL5099001 0.74 SMN1; SMN2 (0.49) ACACBGAAMEN1KMT2AALDH1A1
SCHEMBL7533942 0.74 ANO1 (0.50) ACACBFASNALDH1A1HSD11B1HPGD
SCHEMBL6571797 0.73 ALDH1A1 (0.53) ACACBGAAFASNMEN1KMT2A
SCHEMBL7122185 0.73 ALDH1A1 (0.41) ACACBALDH1A1MAPTSLC6A4HRH3
SCHEMBL5099764 0.73 MET (0.46) SLC6A9ALDH1A1LMNANPC1RAB9A
SCHEMBL5885749 0.73 ACACB (0.48) ACACBHIF1AALDH1A1TSHR
SCHEMBL7566297 0.70 F10 (0.48) GAAALDH1A1HSD11B1HPGDLMNA

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
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO 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-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 ACACB 2861/4885GAA 3952/4885SLC6A9 4643/4885

“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.