SCHEMBL6462954

SCHEMBL6462954

CCCCC(N)C(O)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
MIF P14174 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HSF1 Q00613 3/20 0.39
FAAH O00519 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 2/20 0.39
CES1 P23141 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL6462957 1.00 MAPT (0.41) MAPTALDH1A1KMT2AHSD17B10F2
SCHEMBL5523795 0.92 HSF1 (0.41) MAPTALDH1A1KMT2AHSD17B10F2
SCHEMBL3877784 0.92 HSF1 (0.41) MAPTALDH1A1KMT2AHSD17B10F2
SCHEMBL3877787 0.92 HSF1 (0.41) MAPTALDH1A1KMT2AHSD17B10F2
SCHEMBL5422053 0.86 NPC1 (0.41) MAPTALDH1A1KMT2AHSD17B10LMNA
SCHEMBL6465610 0.86 NPC1 (0.41) MAPTALDH1A1KMT2AHSD17B10LMNA
SCHEMBL5424291 0.86 NPC1 (0.41) MAPTALDH1A1KMT2AHSD17B10LMNA
Hydrochloric Acid SCHEMBL14974761 0.85 NPC1 (0.40) MAPTALDH1A1KMT2AHSD17B10LMNA
Hydrochloric Acid SCHEMBL3618315 0.85 NPC1 (0.40) MAPTALDH1A1KMT2AHSD17B10LMNA
Hydrochloric Acid SCHEMBL3618312 0.85 NPC1 (0.40) MAPTALDH1A1KMT2AHSD17B10LMNA

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 MAPT 2414/4885ALDH1A1 3027/4885KMT2A 3705/4885

“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.