SCHEMBL5519573

SCHEMBL5519573

CC(N)C(O)c1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC9 Q9UKV0 4/20 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
SCHEMBL5735586 1.00 LMNA (0.43) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL5519576 1.00 LMNA (0.43) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL16492736 1.00 LMNA (0.43) LMNAADRA2AADRA2CHIF1AKDM4E
Hydrochloric Acid SCHEMBL5729573 0.98 ALDH1A1 (0.44) LMNAADRA2AADRA2CHIF1AKDM4E
Hydrochloric Acid SCHEMBL5729571 0.98 ALDH1A1 (0.44) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL17898133 0.86 MAPT (0.43) LMNAKDM4EALDH1A1MAPTNPC1
SCHEMBL5422053 0.83 NPC1 (0.41) LMNAADRA2CKDM4EALDH1A1MAPT
SCHEMBL5424291 0.83 NPC1 (0.41) LMNAADRA2CKDM4EALDH1A1MAPT
SCHEMBL6465610 0.83 NPC1 (0.41) LMNAADRA2CKDM4EALDH1A1MAPT
SCHEMBL10480315 0.82 MAPT (0.46) LMNAKDM4EALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
US-7091360-B2 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMA S.A. (US) 2006-08-15 US disclosed
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMACEUTICALS, INC. 2006-06-22 US disclosed
EP-1495007-A4 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARM INC (US) 2006-05-03 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
EP-1495007-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2005-01-12 EP disclosed
US-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AXYS PHARMACEUTICALS, INC. 2004-01-29 US disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
WO-2003087068-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2003-10-23 WO 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 (4 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-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ LMNA 2489/4885ADRA2A 4778/4885ADRA2C 4556/4885
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ LMNA 2489/4885ADRA2A 4778/4885ADRA2C 4556/4885
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ LMNA 1755/4885ADRA2A 4770/4885ADRA2C 4658/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS LMNA 1400/4885ADRA2A 4004/4885ADRA2C 3748/4885

“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.