SCHEMBL5481793

SCHEMBL5481793

COCCN(C)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
VCAM1 P19320 1/20 0.43
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
KDR P35968 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 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
SCHEMBL29740665 0.88 MAPT (0.72) MAPTTSHRMEN1KMT2AHSD17B10
SCHEMBL12288117 0.84 MAPT (0.48) MAPTVCAM1TSHRMEN1KMT2A
SCHEMBL16003231 0.84 MAPT (0.66) MAPTTSHRMEN1KMT2AHSD17B10
SCHEMBL5462361 0.82 MAPT (0.64) MAPTVCAM1TSHRPOLBHTT
SCHEMBL3051207 0.82 MAPT (0.52) MAPTVCAM1TSHRMEN1KMT2A
SCHEMBL6872660 0.82 SMN1; SMN2 (0.48) MAPTVCAM1TSHRMEN1KMT2A
SCHEMBL3049451 0.81 VCAM1 (0.40) MAPTVCAM1LMNAPOLBHTT
SCHEMBL5465567 0.81 MAPT (0.51) MAPTTSHRLMNAPOLBKDR
SCHEMBL3033674 0.77 MAPT (0.64) MAPTTSHRMEN1KMT2ALMNA
SCHEMBL11886403 0.76 MAPT (1.00) MAPTTSHRHSD17B10HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105851-A1 Indolyl-thienopyrazinone derivatives useful for treating hyperproliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-10 US disclosed
US-20070105851-A1 Indolyl-thienopyrazinone derivatives useful for treating hyperproliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-10 US disclosed
US-20070105851-A1 Indolyl-thienopyrazinone derivatives useful for treating hyperproliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-10 US disclosed
US-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 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 (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-20070105851-A1 Indolyl-thienopyrazinone derivatives useful for treating hyperproliferative disorders and diseases associated with angiogenesis MKI67, CDK4, PGF MAPT 3142/4885VCAM1 640/4885TSHR 2127/4885
US-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis MKI67, VEGFA, FLT1 MAPT 1920/4885VCAM1 478/4885TSHR 3386/4885

“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.