SCHEMBL4087889

SCHEMBL4087889

COc1cc(Cl)c([N+](=O)[O-])cc1OCCCN1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP2D6 P10635 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
WEE2 P0C1S8 2/20 0.44
WEE1 P30291 2/20 0.44
PKMYT1 Q99640 2/20 0.44
EGFR P00533 3/20 0.43
KDR P35968 2/20 0.43
CSF1R P07333 3/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
STK25 O00506 1/20 0.43
CIT O14578 1/20 0.43
RIOK3 O14730 1/20 0.43
MAP2K7 O14733 1/20 0.43

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
SCHEMBL5025184 0.83 SRC (0.50) ALDH1A1KDM4ETDP1CYP2D6L3MBTL1
SCHEMBL17375521 0.82 SIRT6 (0.51) ALDH1A1KDM4ETDP1CYP2D6L3MBTL1
SCHEMBL23132944 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1CYP2D6L3MBTL1
SCHEMBL13938553 0.80 LMNA (0.47) ALDH1A1KDM4ECYP2D6L3MBTL1CYP1A2
SCHEMBL27958219 0.80 CYP2D6 (0.66) ALDH1A1KDM4ETDP1CYP2D6CYP1A2
SCHEMBL12448363 0.79 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1CYP2D6CYP1A2
SCHEMBL5105861 0.79 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1CYP2D6CYP1A2
SCHEMBL5139995 0.78 SRC (0.46) ALDH1A1KDM4ETDP1CYP2D6L3MBTL1
SCHEMBL2209146 0.78 SIRT6 (0.57) ALDH1A1KDM4ETDP1CYP2D6CYP1A2
SCHEMBL20303961 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ECYP2D6L3MBTL1CYP1A2

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-20090029982-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2009-01-29 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
WO-2008055233-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-08 WO disclosed
EP-1888588-A2 PROTEIN KINASE INHIBITORS SuperGen, Inc. (US) 2008-02-20 EP disclosed
WO-2006116733-A2 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2006-11-02 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL ALDH1A1 3719/4885KDM4E 876/4885TDP1 970/4885
US-20090029982-A1 PROTEIN KINASE INHIBITORS CDK2, PACSIN2, AKT1 ALDH1A1 3578/4885KDM4E 962/4885TDP1 1039/4885

“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.