SCHEMBL16082500

SCHEMBL16082500

COc1cccc(CNC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.66
HPGD P15428 4/20 0.65
KMT2A Q03164 4/20 0.62
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 2/20 0.56
MEN1 O00255 3/20 0.55
MMP13 P45452 2/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL16082524 0.91 TP53 (0.60) TP53HPGDKMT2ATDP1MEN1
SCHEMBL16082504 0.88 TP53 (0.75) TP53HPGDKMT2ATDP1MAPT
SCHEMBL16082505 0.87 LMNA (0.58) TP53HPGDKMT2ATDP1MAPT
SCHEMBL16082479 0.87 TP53 (0.73) TP53HPGDKMT2ATDP1MAPT
SCHEMBL16082913 0.86 TP53 (0.68) TP53HPGDKMT2AMAPTMEN1
SCHEMBL16082490 0.86 TP53 (0.76) TP53HPGDKMT2ATDP1MAPT
SCHEMBL16082511 0.85 TP53 (0.70) TP53HPGDKMT2ATDP1MAPT
SCHEMBL16082503 0.84 TP53 (0.67) TP53HPGDKMT2ATDP1MAPT
SCHEMBL16082487 0.84 TP53 (0.75) TP53HPGDKMT2ATDP1MAPT
SCHEMBL1378302 0.83 ROCK2 (0.53) TP53HPGDMMP13

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
US-9790188-B2 Benzimidazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-10-17 US disclosed
US-20160031824-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-04 US disclosed
WO-2014145887-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-09-18 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-20160031824-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF TARDBP, ADRM1, MDM2 TP53 50/4885HPGD 3690/4885KMT2A 2527/4885

“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.