SCHEMBL7141122

SCHEMBL7141122

N[C@@H](CC(=O)O)C(=O)NCc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
TSHR P16473 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
POLB P06746 3/20 0.54
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 1/20 0.49
MAPK14 Q16539 1/20 0.48

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
SCHEMBL7361107 0.85 SMN1; SMN2 (0.61) SMN1; SMN2TSHRCYP1A2CYP2D6MAPT
SCHEMBL27819904 0.84 SMN1; SMN2 (0.71) SMN1; SMN2TSHRCYP1A2CYP2D6MAPT
SCHEMBL14931534 0.81 SMN1; SMN2 (0.66) SMN1; SMN2TSHRCYP1A2CYP2D6MAPT
SCHEMBL5079207 0.80 POLB (0.61) SMN1; SMN2TSHRCYP1A2CYP2D6MAPT
SCHEMBL5079211 0.80 POLB (0.61) SMN1; SMN2TSHRCYP1A2CYP2D6MAPT
SCHEMBL16150930 0.80 SMN1; SMN2 (0.54) SMN1; SMN2TSHRCYP1A2CYP2D6MAPT
SCHEMBL16150929 0.80 SMN1; SMN2 (0.54) SMN1; SMN2TSHRCYP1A2CYP2D6MAPT
SCHEMBL3625014 0.79 SMN1; SMN2 (0.51) SMN1; SMN2TSHRCYP1A2CYP2D6MAPT
SCHEMBL7138805 0.79 SMN1; SMN2 (0.54) SMN1; SMN2TSHRCYP1A2CYP2D6MAPT
SCHEMBL7146237 0.79 LTA4H (0.52) TSHRCYP1A2CYP2D6MAPTALDH1A1

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
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 SMN1; SMN2 3186/4885TSHR 166/4885CYP1A2 4389/4885

“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.