SCHEMBL7123258

SCHEMBL7123258

CC(=O)NC(C=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.71
ALOX15 P16050 1/20 0.59
TACR1 P25103 4/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 2/20 0.56
APAF1 O14727 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
BLM P54132 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 1/20 0.54
PKM P14618 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
ITGB2 P05107 1/20 0.53
ICAM1 P05362 1/20 0.53

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
SCHEMBL13254023 1.00 CTSL (0.71) CTSLALOX15TACR1KDM4EMAPT
SCHEMBL11016816 0.91 CTSL (0.69) CTSLALOX15TACR1KDM4EMAPT
SCHEMBL26647399 0.88 CTSL (0.74) CTSLALOX15KDM4EMAPTPOLB
SCHEMBL26647406 0.88 CTSL (0.74) CTSLALOX15KDM4EMAPTPOLB
SCHEMBL10063754 0.87 CTSL (0.71) CTSLALOX15KDM4EMAPTPOLB
SCHEMBL12384232 0.86 CTSL (0.73) CTSLALOX15KDM4EMAPTPOLB
SCHEMBL7141420 0.86 CTSL (0.63) CTSLACE
SCHEMBL16330216 0.86 CTSL (0.66) CTSLALOX15TACR1KDM4EMAPT
SCHEMBL14648801 0.86 CTSL (0.66) CTSLALOX15TACR1KDM4EMAPT
SCHEMBL18232014 0.85 CTSL (0.65) CTSLALOX15KDM4EMAPTPOLB

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-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US claimed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US claimed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 WO claimed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US disclosed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US disclosed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 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-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof BCAT2, IL4I1, BCAT1 CTSL 2343/4885ALOX15 3738/4885TACR1 4441/4885

“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.