SCHEMBL990003

SCHEMBL990003

CCOC(=O)C(c1cc(N2CCN(C)CC2)ncc1[N+](=O)[O-])C(C(N)=O)c1cc(N2CCN(C)CC2)ncc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SIRT6 Q8N6T7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
ITGB2 P05107 1/20 0.36
ITGAL P20701 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL990479 0.84 SMO (0.43) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL3559065 0.82 SIRT6 (0.52) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL990764 0.76 MAPT (0.45) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27658359 0.75 MAPT (0.43) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL990645 0.73 RET (0.36) CYP1A2SMN1; SMN2HDAC3
SCHEMBL990803 0.73 MAPT (0.45) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22652226 0.72 MAPT (0.51) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14938605 0.72 MAPT (0.72) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17222820 0.71 SIRT6 (0.58) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27658357 0.70 MAPT (0.42) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745037-B1 Indolylmaleimide derivatives as inhibitors for the treatment of graft rejection or autoimmune diseases NOVARTIS AG (CH) 2013-01-02 EP disclosed
EP-2270001-A1 Indolylmaleimide derivatives as PKC inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
US-7648989-B2 Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2010-01-19 US disclosed
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1745037-A1 INDOLYLMALEIMIDE DERIVATIVES AS PKC INHIBITORS Novartis AG (CH) 2007-01-24 EP disclosed
WO-2005068455-A1 INDOLYLMALEIMDE DERIVATIVES AS PKC INHIBITORS NOVARTIS AG (CH) 2005-07-28 WO 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-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors PRKCE, PRKCH, PRKCI MAPT 3424/4885ALDH1A1 4054/4885CYP1A2 4077/4885

“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.