SCHEMBL4535523

SCHEMBL4535523

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc(-c2ccc(NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ PIK3CA P42336 3/20 0.47
▸ PIK3CB P42338 3/20 0.47
▸ PIK3CG P48736 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ SGK1 O00141 1/20 0.42
▸ PORCN Q9H237 1/20 0.40
▸ BCL2 P10415 2/20 0.40
▸ BECN1 Q14457 2/20 0.40
▸ ATM Q13315 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38

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
SCHEMBL31396449 0.87 PIK3CA (0.45) KMT2APIK3CAPIK3CBPIK3CGMEN1
SCHEMBL17203013 0.74 KMT2A (0.55) KMT2AMEN1ATMMAPTGAA
SCHEMBL14573284 0.73 MAPT (0.39) KMT2AMEN1PORCNBCL2BECN1
SCHEMBL3573967 0.73 MAPT (0.66) KMT2AMEN1ATMMAPTGAA
SCHEMBL1492829 0.72 PORCN (0.73) KMT2AMEN1SGK1PORCNATM
SCHEMBL4631425 0.72 ALDH1A1 (0.56) KMT2AMEN1SGK1PORCNATM
SCHEMBL4516346 0.72 SYK (0.36) KMT2AMEN1MAPTGAANPC1
SCHEMBL4530760 0.71 PIK3CA (0.48) KMT2APIK3CAPIK3CBPIK3CGMEN1
SCHEMBL29460423 0.70 MMP1 (0.51) KMT2AMEN1ATMMAPTMMP1
SCHEMBL4535524 0.70 ATM (0.39) KMT2AMEN1SGK1ATMMAPT

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 — — US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 — — 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA KMT2A 735/4885PIK3CA 398/4885PIK3CB 493/4885

“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.

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