SCHEMBL7126901

SCHEMBL7126901

CSc1nc2cc(C(=O)O)ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MBOAT4 Q96T53 1/20 0.55
ELANE P08246 4/20 0.50
PRTN3 P24158 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GFER P55789 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
F2 P00734 1/20 0.44
CTSG P08311 1/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
MGLL Q99685 1/20 0.40

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
SCHEMBL22442361 0.88 TTR (0.52) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL19029500 0.84 MAPT (0.57) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL11119157 0.81 RAB9A (0.68) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL29387974 0.80 RAB9A (0.52) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL30041235 0.79 TDP1 (0.54) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL701884 0.79 TDP1 (0.54) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL9305022 0.79 NPC1 (0.46) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL7243392 0.78 GAA (0.64) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL9307864 0.77 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2MBOAT4
SCHEMBL6790090 0.77 TDP1 (0.47) NPC1RAB9AHPGDSMN1; SMN2MBOAT4

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 3 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 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 NPC1 4800/4885RAB9A 3050/4885HPGD 4082/4885

“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.