SCHEMBL18678908

SCHEMBL18678908

COc1cc(NC(=O)c2ccc3nc(C(c4ccccc4)c4ccccc4)[nH]c3c2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
USP2 O75604 1/20 0.51
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
P4HTM Q9NXG6 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MLKL Q8NB16 2/20 0.47
NAMPT P43490 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NTRK1 P04629 1/20 0.44
NTRK2 Q16620 1/20 0.44
HPSE Q9Y251 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL19982680 0.80 MLKL (0.57) USP2MAPTL3MBTL1MLKLSMN1; SMN2
SCHEMBL18678933 0.80 CHEK2 (0.56) L3MBTL1MLKLSMN1; SMN2RAB9A
SCHEMBL17263165 0.76 MLKL (0.62) MLKLSMN1; SMN2RAB9A
SCHEMBL18662764 0.74 ACSS2 (0.49) MLKL
SCHEMBL18662762 0.74 ACSS2 (0.49) MLKL
SCHEMBL30958899 0.73 ATM (0.89) ATMMAPTP4HTMKMT2AMEN1
SCHEMBL9709123 0.72 ATM (0.69) ATMMAPTP4HTMKMT2AMEN1
Iodide SCHEMBL30758622 0.72 ATM (0.86) ATMMAPTP4HTMKMT2AMEN1
SCHEMBL22628681 0.70 ATM (0.62) ATMMAPTP4HTMKMT2AMEN1
SCHEMBL6349892 0.69 ATM (0.68) ATMMAPTP4HTMKMT2AMEN1

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-10040767-B2 Benzimidazole derivatives and uses thereof PELOTON THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. 2017-03-30 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 (2 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-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF ACSS2, GLS2, ACSL3 ATM 654/4885USP2 1989/4885MAPT 4860/4885
US-10040767-B2 Benzimidazole derivatives and uses thereof ACSS2, GLS2, ACSL3 ATM 654/4885USP2 1989/4885MAPT 4860/4885

“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.