SCHEMBL4288022

SCHEMBL4288022

O=C(O)CCC(=O)Nc1ccc(-c2c[nH]c(=O)c3c2ccc2ccc(Cl)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
NAMPT P43490 1/20 0.46
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B1 P14061 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B2 P37059 1/20 0.41
CHEK1 O14757 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP3 P42574 2/20 0.39
CASP2 P42575 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL4287293 0.89 ALDH1A1 (0.44) POLBLMNASMN1; SMN2GSK3BALDH1A1
SCHEMBL4291937 0.80 MAP2K4 (0.47) ROCK2NAMPTSMN1; SMN2CHEK1KDM4E
SCHEMBL4298816 0.78 CHEK1 (0.48) ROCK2NAMPTCHEK1ROCK1
SCHEMBL4287635 0.78 PARP1 (0.55) ROCK2NAMPTLMNAGSK3BALDH1A1
SCHEMBL13662591 0.77 RAB9A (0.45) POLBLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4295944 0.73 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B1HSD17B2CHEK1
SCHEMBL4296220 0.73 CHEK1 (0.50) ROCK2NAMPTALDH1A1CHEK1
SCHEMBL4287646 0.73 SERPINE1 (0.45) CYP2C9CHEK1
SCHEMBL4287632 0.73 CHEK1 (0.45) ROCK2NAMPTCHEK1
SCHEMBL4291922 0.72 HPGD (0.45) POLBSMN1; SMN2ALDH1A1CHEK1KDM4E

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-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US claimed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A ROCK2 1117/4885NAMPT 1483/4885POLB 841/4885

“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.