SCHEMBL4586022

SCHEMBL4586022

NC(=NO)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.63
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 1/20 0.50
RAF1 P04049 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL8280952 1.00 VCAM1 (0.63) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL6473 0.81 VCAM1 (0.74) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL13495909 0.81 TSHR (0.61) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL14738946 0.81 TSHR (0.61) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL31261532 0.81 TSHR (0.61) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8280961 0.80 VCAM1 (0.67) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL6259886 0.80 VCAM1 (0.57) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL8282155 0.80 VCAM1 (0.57) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL1258621 0.78 VCAM1 (1.00) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL18838994 0.77 TSHR (0.61) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581213-A4 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2008-11-19 EP disclosed
CN-100364531-C 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA INC (US) 2008-01-30 CN disclosed
US-7317029-B2 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-01-08 US disclosed
US-20070112003-A1 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof CYTOVIA, INC. (US) 2007-05-17 US disclosed
US-7144876-B2 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-12-05 US disclosed
CN-1756547-A 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA INC 2006-04-05 CN disclosed
EP-1581213-A1 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-10-05 EP disclosed
WO-2005072741-A1 ((11-OXO-10,11-DIHYDRODIBENZO [B, F] [1, 4] OXAZEPIN-1-YL)OXY) ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CARDIOVASCULAR PREPARATIONS USED TO TREAT ARTERIOLOSCLEROSIS BAYER HEALTHCARE AG (DE) 2005-08-11 WO disclosed
WO-2004058253-A1 3,5-DISUBSTITUTED-[1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2004-07-15 WO disclosed
US-20040127521-A1 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-07-01 US disclosed
EP-0842163-B1 BENZENE DERIVATIVES WITH A HETEROCYCLIC GROUP BASF AG (DE) 1999-11-03 EP disclosed
US-5886187-A Benzene derivatives having a heterocyclic radical BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US 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 (2 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-20040127521-A1 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP1, CASP3, CASP2 VCAM1 790/4885MAPT 4540/4885ALDH1A1 155/4885
US-20070112003-A1 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof CASP1, CASP3, CASP2 VCAM1 928/4885MAPT 4605/4885ALDH1A1 205/4885

“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.