SCHEMBL5565752

SCHEMBL5565752

C[C@@H](N[C]=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 2/20 0.44
RECQL P46063 1/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL5566470 1.00 MAPT (0.45) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL11065465 0.81 ALDH1A1 (0.50) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL8286047 0.79 ALDH1A1 (0.53) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL16487923 0.79 MAPT (0.49) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL7240855 0.79 ALDH1A1 (0.53) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL8285058 0.79 ALDH1A1 (0.53) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL5466533 0.76 NPC1 (0.47) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL5466541 0.76 NPC1 (0.47) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL2945894 0.76 MAPT (0.49) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL24105668 0.75 GAA (0.47) MAPTL3MBTL1CYP1A2CYP3A4TSHR

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-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 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-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B MAPT 4843/4885L3MBTL1 2734/4885CYP1A2 1035/4885

“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.