SCHEMBL6154327

SCHEMBL6154327

COc1c(C(N)=O)ccc(NC2CCNCC2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.44
DDR1 Q08345 2/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
TOP2A P11388 3/20 0.39
HSP90AB1 P08238 2/20 0.39
CHEK1 O14757 2/20 0.39
KCNH2 Q12809 2/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
HSP90AA1 P07900 1/20 0.38
PARP1 P09874 1/20 0.38
DRD4 P21917 1/20 0.37
BTK Q06187 3/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 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
SCHEMBL6155009 0.81 RPS6KB1 (0.43) AURKARPS6KB1CHEK1KCNH2HSP90AA1
SCHEMBL6154811 0.78 SLC6A12 (0.56) KCNH2DRD4
SCHEMBL6154542 0.76 HTR4 (0.58) HTR4DDR1CDK1CDK4CCND1
Hydrochloric Acid SCHEMBL6154062 0.75 HTR4 (0.57) HTR4DDR1CDK1CDK4CCND1
SCHEMBL6153952 0.73 DDR1 (0.53) HTR4DDR1TOP2AHSP90AB1CDK1
SCHEMBL6153679 0.72 HTR4 (0.48) HTR4AURKARPS6KB1CDK1CDK4
SCHEMBL377833 0.72 SIRT2 (0.56) AURKARPS6KB1CHEK1KCNH2CDK1
SCHEMBL6154061 0.72 HTR4 (0.47) HTR4DDR1AURKARPS6KB1KCNH2
SCHEMBL6154711 0.70 TOP2A (0.47) DDR1AURKARPS6KB1TOP2AHSP90AB1
SCHEMBL29782505 0.70 BTK (0.69) BTK

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-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 HTR4 2642/4885DDR1 3936/4885AURKA 2136/4885

“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.