SCHEMBL4535524

SCHEMBL4535524

CC(C)(C)c1nc(N(C(=O)O)C(=O)O)nc(-c2ccc(NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.39
▸ AURKA O14965 2/20 0.39
▸ MAPT P10636 8/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MYOC Q99972 1/20 0.37
▸ SGK1 O00141 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 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
SCHEMBL3573967 0.72 MAPT (0.66) ATMMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL25490115 0.71 MEN1 (0.56) ATMMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL4535523 0.70 KMT2A (0.47) ATMMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL4631425 0.69 ALDH1A1 (0.56) ATMMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL14601827 0.69 MAPT (0.57) ATMMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL6261538 0.69 MAPT (0.62) ATMMAPTKMT2ASMN1; SMN2NPC1
4-Nitrophenyl Phenylcarbamate SCHEMBL1434931 0.69 ALDH1A1 (0.62) ATMMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL4183001 0.69 MAPT (0.57) ATMMAPTKMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4182996 0.68 MAPT (0.56) ATMMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL8776629 0.68 MAPT (0.59) ATMMAPTKMT2ASMN1; SMN2NPC1

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 ATM 881/4885AURKA 286/4885MAPT 236/4885

“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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