SCHEMBL6468700

SCHEMBL6468700

NCC(O)c1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
NPC1 O15118 7/20 0.46
RAB9A P51151 6/20 0.46
MAPT P10636 4/20 0.46
DDAH1 O94760 1/20 0.45
ADRA2C P18825 1/20 0.45
TP53 P04637 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
BCHE P06276 3/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
PSMB8 P28062 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
Hydrochloric Acid SCHEMBL3621160 0.84 LOXL2 (0.47) LOXL2NPC1RAB9AMAPTDDAH1
SCHEMBL24928637 0.84 LOXL2 (0.47) LOXL2NPC1RAB9AMAPTDDAH1
SCHEMBL27267864 0.83 MAPT (0.46) LOXL2NPC1RAB9AMAPTTP53
SCHEMBL1985577 0.82 LOXL2 (0.51) LOXL2NPC1RAB9AMAPTDDAH1
SCHEMBL27207697 0.81 NPC1 (0.41) LOXL2NPC1RAB9AMAPTDDAH1
SCHEMBL14562892 0.80 HSF1 (0.44) LOXL2NPC1RAB9AMAPTTP53
SCHEMBL6206770 0.79 MAPT (0.48) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL5703678 0.79 HDAC3 (0.50) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6207598 0.79 HDAC3 (0.50) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6630971 0.79 HDAC3 (0.47) LOXL2NPC1RAB9AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ LOXL2 880/4885NPC1 428/4885RAB9A 1895/4885

“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.