SCHEMBL3086908

SCHEMBL3086908

CC(Cc1ccc(-n2cccn2)cc1)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
DCTPP1 Q9H773 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
NOTUM Q6P988 1/20 0.44
POLB P06746 1/20 0.43
CHRM1 P11229 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
BRS3 P32247 1/20 0.40
CHRNA7 P36544 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
CCNE1 P24864 1/20 0.39

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
SCHEMBL14302480 0.89 KDM4E (0.46) LMNADCTPP1KDM4EALDH1A1MAPK1
SCHEMBL5018752 0.81 NOTUM (0.53) LMNAKDM4EALDH1A1MAPK1NOTUM
SCHEMBL17548908 0.76 FAAH (0.43) ALDH1A1MEN1KMT2A
SCHEMBL7417496 0.75 TBXAS1 (0.46) LMNANOTUMMAPTMEN1KMT2A
SCHEMBL15648532 0.74 KDM4E (0.49) LMNAKDM4EALDH1A1MAPK1NOTUM
SCHEMBL4449726 0.72 NOTUM (0.55) LMNADCTPP1KDM4EALDH1A1MAPK1
SCHEMBL179123 0.72 NOTUM (0.58) KDM4EALDH1A1MAPK1NOTUMCHRM1
SCHEMBL18856477 0.72 KDM4E (0.50) LMNAKDM4EALDH1A1MAPK1NOTUM
SCHEMBL11036512 0.71 CPA1 (0.49) MEN1KMT2ATP53
SCHEMBL3289735 0.71 CPA1 (0.49) MEN1KMT2ATP53

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
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
EP-2035413-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2009-03-18 EP disclosed
WO-2008000421-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-03 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-20100120865-A1 Organic compounds PIK3C3, PIK3R3, PIK3R4 LMNA 4056/4885DCTPP1 1299/4885KDM4E 3125/4885

“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.