SCHEMBL4217697

SCHEMBL4217697

O=C(O)c1cc([N+](=O)[O-])ccc1NC1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.54
CTSL P07711 2/20 0.54
MAPT P10636 8/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.47
TRPA1 O75762 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CDK2 P24941 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL30806338 0.82 MEN1 (0.46) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL30806443 0.82 ALDH1A1 (0.47) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL6944865 0.78 MAPT (0.64) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL3021466 0.75 MAPT (0.70) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL30806493 0.74 ALDH1A1 (0.43) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL10385892 0.74 MAPT (0.72) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL3031076 0.74 MAPT (0.72) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL6941586 0.73 MAPT (0.58) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL6941411 0.73 MAPT (0.58) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL6941409 0.73 MAPT (0.58) CTSVCTSLMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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 (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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 CTSV 2685/4885CTSL 3068/4885MAPT 6/4885

“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.