SCHEMBL9963549

SCHEMBL9963549

Cc1c2nc(NCC(=O)N3CCCC3)sc2cc2sc(NCC(=O)N3CCN(C4CCN(C)CC4)CC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
PTGS2 P35354 4/20 0.43
TP53 P04637 1/20 0.43
F10 P00742 4/20 0.42
F2 P00734 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
BCHE P06276 1/20 0.40
GRIN2B Q13224 1/20 0.40
SLC2A1 P11166 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
G6PD P11413 1/20 0.36
HPGD P15428 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9963585 0.92 BCHE (0.45) ACHEPTGS2TP53L3MBTL1BCHE
SCHEMBL9963572 0.91 TP53 (0.51) ACHEPTGS2TP53L3MBTL1L3MBTL3
SCHEMBL9963580 0.91 ACHE (0.45) ACHEPTGS2TP53L3MBTL1BCHE
SCHEMBL9963550 0.87 ACHE (0.42) ACHEPTGS2TP53L3MBTL1BCHE
SCHEMBL9963629 0.86 ACHE (0.42) ACHEPTGS2TP53L3MBTL1BCHE
SCHEMBL9963616 0.86 MAPT (0.42) ACHEPTGS2TP53L3MBTL1BCHE
SCHEMBL9963481 0.86 ACHE (0.41) ACHEPTGS2TP53F10F2
SCHEMBL9963485 0.86 ACHE (0.41) ACHEPTGS2TP53L3MBTL1BCHE
SCHEMBL9963567 0.85 ACHE (0.41) ACHEPTGS2TP53L3MBTL1BCHE
SCHEMBL9963557 0.85 NPC1 (0.46) ACHETP53L3MBTL1BCHEGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 ACHE 1479/4885PTGS2 2872/4885TP53 107/4885

“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.