SCHEMBL13244232

SCHEMBL13244232

CCOC(=O)CCCOc1cc([N+](=O)[O-])ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 5/20 0.52
POLB P06746 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 3/20 0.45
CYP19A1 P11511 4/20 0.44

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
SCHEMBL14363211 0.96 MAPT (0.52) MAPTKDM4EALDH1A1POLBCYP1A2
SCHEMBL6500650 0.82 MAPT (0.52) MAPTKDM4EALDH1A1POLBCYP1A2
SCHEMBL2839813 0.78 MAPT (0.55) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL5285260 0.78 PKM (0.78) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL16351744 0.78 CYP19A1 (0.50) MAPTALDH1A1CYP3A4CYP2C19KMT2A
SCHEMBL9307475 0.78 SMN1; SMN2 (0.59) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL18088093 0.77 MAPT (0.54) MAPTKDM4EALDH1A1POLBCYP1A2
SCHEMBL7379162 0.77 GAA (0.46) ALDH1A1POLBCYP2C19KMT2AL3MBTL1
SCHEMBL28517931 0.76 MAPT (0.46) MAPTKDM4EALDH1A1POLBCYP1A2
SCHEMBL8896631 0.76 ALDH1A1 (0.53) MAPTALDH1A1POLBKMT2AMEN1

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-8338422-B2 Indolin-2-ones and aza-indolin-2-ones JANSSEN PHARMACEUTICA NV (BE) 2012-12-25 US disclosed
US-20100190786-A1 INDOLIN-2-ONES AND AZA-INDOLIN-2-ONES JANSSEN PHARMACEUTICA NV (BE) 2010-07-29 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-20100190786-A1 INDOLIN-2-ONES AND AZA-INDOLIN-2-ONES IDO2, IDO1, MKI67 MAPT 4356/4885KDM4E 1415/4885ALDH1A1 1617/4885

“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.