SCHEMBL6841707

SCHEMBL6841707

COC(=O)C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NLRP1 Q9C000 1/20 0.49
TTR P02766 1/20 0.49
APP P05067 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TYR P14679 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL6841705 1.00 MAPT (0.49) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL26600131 0.90 PTGS1 (0.55) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL29880084 0.90 ALDH1A1 (0.44) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL29136916 0.90 ALDH1A1 (0.44) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL17083190 0.90 MAPT (0.44) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL29302331 0.90 ALDH1A1 (0.44) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL1284480 0.84 TRPV1 (0.62) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL30913843 0.84 TRPV1 (0.62) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL1284478 0.84 TRPV1 (0.62) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL522693 0.83 CA12 (0.62) MAPTMEN1ALDH1A1KMT2AMAPK1

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
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 US disclosed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 US disclosed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 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 (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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MAPT 1908/4885MEN1 4867/4885ALDH1A1 2070/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MAPT 1908/4885MEN1 4867/4885ALDH1A1 2070/4885

“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.