SCHEMBL17824320

SCHEMBL17824320

O=C(Cn1c(Cl)nc2ccccc21)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.51
CYP2C9 P11712 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
PTPN7 P35236 1/20 0.47
PTPN12 Q05209 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
GSK3B P49841 1/20 0.47
CTSD P07339 1/20 0.47
CFTR P13569 1/20 0.46
TBXA2R P21731 1/20 0.45
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
IRAK1 P51617 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
APEX1 P27695 1/20 0.43
MAPT P10636 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
SCHEMBL17824316 0.79 CYP2C9 (0.48) CXCR3CYP2C9LMNAALDH1A1KDM4E
SCHEMBL17833366 0.79 GSK3B (0.51) CXCR3LMNAGSK3BCTSDCFTR
SCHEMBL4083303 0.78 CFTR (0.62) CXCR3LMNAALDH1A1GSK3BCFTR
SCHEMBL8268180 0.75 KDM4E (0.67) LMNAALDH1A1KDM4ETBXA2RMAPT
SCHEMBL569988 0.73 KDM4E (0.70) CYP2C9LMNAALDH1A1KDM4ECTNNB1
SCHEMBL13394321 0.72 CXCR3 (0.53) CXCR3LMNAALDH1A1KDM4EGAA
SCHEMBL4288066 0.72 KDM4E (0.65) LMNAALDH1A1KDM4EAPEX1
SCHEMBL5120973 0.71 PTGDR2 (0.50) GAACFTRMAPT
SCHEMBL28140776 0.69 KDM4E (0.73) CXCR3LMNAALDH1A1KDM4EGSK3B
SCHEMBL18969783 0.69 APEX1 (0.54) CYP2C9LMNAALDH1A1KDM4EGAA

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-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
EP-3230275-A1 PRO-SURVIVAL COMPOUNDS University Court of The University of Glasgow (GB) 2017-10-18 EP disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 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-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 CXCR3 4247/4885CYP2C9 4880/4885LMNA 301/4885

“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.