SCHEMBL3596009

SCHEMBL3596009

CN(C)Cc1ccc2c(CC(=O)O)c(Cl)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.42
PRKCB P05771 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCH P24723 2/20 0.41
PRKCE Q02156 2/20 0.41
PRKCQ Q04759 2/20 0.41
PRKCD Q05655 2/20 0.41
CA2 P00918 1/20 0.41
SLC22A12 Q96S37 4/20 0.39
TRPV1 Q8NER1 1/20 0.38
PTGS1 P23219 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
HTR2A P28223 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1E P28566 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
SCHEMBL3588222 0.88 SLC6A4 (0.46) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL3588780 0.84 CYP4F2 (0.40) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL27664986 0.79 RAD52 (0.43) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL992003 0.78 SLC6A4 (0.46) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL989779 0.74 CYP4F2 (0.40) PRKCBPRKCAPRKCHPRKCEPRKCQ
Dimethylamine SCHEMBL5206984 0.72 KDM4E (0.39) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL3594857 0.71 KDM4E (0.67) AKR1B1KDM4EALDH1A1GLAGAA
SCHEMBL27664987 0.71 PRKCB (0.38) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL27626651 0.70 ALDH1A1 (0.52) HTR2AHTR1AHTR1DHTR1BHTR2C
SCHEMBL11747172 0.69 AKR1B1 (0.50) AKR1B1CA2SLC22A12PTGS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1910174-B Indolylmaleimide derivatives NOVARTIS AG 2010-06-09 CN disclosed
US-7691861-B2 Indolymaleimide derivatives NOVARTIS AG (CH) 2010-04-06 US disclosed
US-20080234494-A1 Indolylmaleimide Derivatives NOVARTIS AG (CH) 2008-09-25 US disclosed
EP-1709030-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2008-04-02 EP disclosed
CN-1910174-A Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-02-07 CN disclosed
EP-1709030-A1 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2006-10-11 EP disclosed
WO-2005068454-A1 INDOLYLMALEIMIDE DERIVATIVES 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-20080234494-A1 Indolylmaleimide Derivatives IDH3A, INMT, IDH2 AKR1B1 147/4885PRKCB 3670/4885PRKCA 3950/4885

“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.