SCHEMBL5065347

SCHEMBL5065347

CC(NC(=O)c1ccc(N2CCOCC2)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.57
PKM P14618 1/20 0.52
ALDH1A1 P00352 9/20 0.52
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1370884 0.81 MAPT (0.66) MAPTPKMALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL1889236 0.80 MAPT (0.64) MAPTPKMALDH1A1MAPK1SMN1; SMN2
SCHEMBL5054829 0.79 MAPT (0.64) MAPTPKMALDH1A1MAPK1SMN1; SMN2
SCHEMBL11921369 0.77 MAPT (0.56) MAPTPKMALDH1A1MAPK1SMN1; SMN2
SCHEMBL15610645 0.76 MEN1 (0.65) MAPTALDH1A1SMN1; SMN2MEN1CYP2C19
SCHEMBL15610371 0.76 MEN1 (0.65) MAPTALDH1A1SMN1; SMN2MEN1CYP2C19
SCHEMBL15610372 0.76 MEN1 (0.65) MAPTALDH1A1SMN1; SMN2MEN1CYP2C19
SCHEMBL29289350 0.76 PRKDC (0.67) MAPTPKMALDH1A1MAPK1SMN1; SMN2
SCHEMBL1232317 0.75 MAPT (0.75) MAPTPKMALDH1A1MAPK1SMN1; SMN2
SCHEMBL1375198 0.74 MAPT (0.60) MAPTPKMALDH1A1MAPK1SMN1; SMN2

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-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 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 (2 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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 MAPT 4502/4885PKM 190/4885ALDH1A1 3519/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 MAPT 4502/4885PKM 190/4885ALDH1A1 3519/4885

“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.