SCHEMBL5556586

SCHEMBL5556586

COC(=O)c1ccc(CSc2cccc(N)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
CYP1A2 P05177 2/20 0.58
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
LOXL2 Q9Y4K0 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 3/20 0.46
NCOR1 O75376 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL3916950 0.83 RAB9A (0.61) TP53RAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL7789813 0.80 CYP1A2 (0.59) TP53CYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL6153764 0.79 MAOB (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5556877 0.78 TP53 (0.49) TP53CYP1A2RAB9ANPC1LOXL2
SCHEMBL3566972 0.77 LOXL2 (0.58) TP53CYP1A2RAB9ANPC1LOXL2
SCHEMBL20132015 0.76 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL18340556 0.76 NPC1 (0.46) TP53CYP1A2RAB9ANPC1LOXL2
SCHEMBL5763978 0.74 L3MBTL1 (0.47) CYP1A2NPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3919430 0.74 GSK3A (0.62) TP53CYP1A2RAB9ANPC1LOXL2
SCHEMBL4769320 0.74 KMT2A (0.66) TP53CYP1A2RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF TP53 1549/4885CYP1A2 3941/4885RAB9A 2546/4885

“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.