SCHEMBL1015156

SCHEMBL1015156

CC(C)Oc1cc(Cl)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.51
TSHR P16473 1/20 0.44
XDH P47989 1/20 0.43
LMNA P02545 1/20 0.41
HPSE Q9Y251 1/20 0.40
ALDH1A1 P00352 2/20 0.40
EP300 Q09472 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TTR P02766 1/20 0.39
PPOX P50336 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC25A1 P53007 1/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
DHODH Q02127 1/20 0.38
PKM P14618 1/20 0.38
DTYMK P23919 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL1012785 0.89 PDK1 (0.51) PDK1XDHLMNAALDH1A1MEN1
SCHEMBL1787616 0.86 MEN1 (0.50) PDK1LMNAALDH1A1MEN1KMT2A
SCHEMBL1784674 0.84 LMNA (0.53) TSHRLMNAHPSEALDH1A1MEN1
SCHEMBL29236565 0.83 PDK1 (0.52) PDK1TSHRXDHLMNAMEN1
SCHEMBL8902275 0.83 PDK1 (0.48) PDK1TSHRXDHALDH1A1MEN1
Hydrochloric Acid SCHEMBL11778515 0.82 LMNA (0.52) TSHRLMNAHPSEALDH1A1MEN1
SCHEMBL27496659 0.82 PDK1 (0.51) PDK1TSHRXDHLMNAALDH1A1
SCHEMBL8347089 0.81 ALDH1A1 (0.46) PDK1TSHRXDHALDH1A1GAA
SCHEMBL8347086 0.81 ALDH1A1 (0.46) PDK1TSHRXDHALDH1A1GAA
SCHEMBL29152508 0.81 PDK1 (0.46) PDK1TSHRXDHALDH1A1EP300

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3012249-A1 COMPOUNDS AND COMPOSITION AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2016-04-27 EP disclosed
EP-3012249-A1 COMPOUNDS AND COMPOSITION AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2016-04-27 EP disclosed
EP-2311807-B1 Compounds and composition as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-11 EP disclosed
EP-2311807-B1 Compounds and composition as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-11 EP disclosed
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-04-16 US disclosed
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-04-16 US disclosed
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-04-16 US disclosed
US-8957081-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2015-02-17 US disclosed
US-8957081-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2015-02-17 US disclosed
US-8957081-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2015-02-17 US disclosed
EP-2271630-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-01-12 EP disclosed
CN-101616895-A Compounds and compositions as protein kinase inhibitors IRM LLC 2009-12-30 CN disclosed
WO-2009126515-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-10-15 WO disclosed
WO-2009126515-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-10-15 WO disclosed
EP-2091918-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-08-26 EP disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 US disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 US disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 US disclosed
WO-2008073687-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-06-19 WO disclosed
WO-2008073687-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-06-19 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 (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-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 PDK1 123/4885TSHR 1191/4885XDH 4145/4885
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 PDK1 123/4885TSHR 1191/4885XDH 4145/4885

“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.