SCHEMBL17824316

SCHEMBL17824316

CN(Cc1ccccc1)c1nc2ccccc2n1CC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CXCR3 P49682 3/20 0.46
GSK3B P49841 1/20 0.45
CFTR P13569 1/20 0.44
TBXA2R P21731 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
CTSD P07339 1/20 0.41
IRAK1 P51617 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41

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
SCHEMBL17824320 0.79 CXCR3 (0.51) CYP2C9MAPTCXCR3GSK3BCFTR
SCHEMBL17824311 0.78 PTGDR2 (0.54) ALDH1A1KDM4E
SCHEMBL19714116 0.78 KDM4E (0.54) CYP2C9MAPTPOLBNPSR1ALDH1A1
SCHEMBL17833376 0.71 TSHR (0.50) MAPTPOLBGSK3BALDH1A1SMN1; SMN2
SCHEMBL6023288 0.68 ALDH1A1 (0.60) CYP2C9MAPTCRHBPCRHR2ALDH1A1
SCHEMBL19439043 0.67 ALDH1A1 (0.67) CYP2C9CRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL18969783 0.67 APEX1 (0.54) CYP2C9MAPTALDH1A1LMNAKDM4E
SCHEMBL29280749 0.66 ALDH1A1 (0.62) CRHBPCRHR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6659906 0.66 BCL9 (0.64) CYP2C9MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL27036962 0.66 ALDH1A1 (0.58) CYP2C9CRHBPCRHR2ALDH1A1SMN1; SMN2

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 3 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
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 CYP2C9 4880/4885MAPT 4635/4885CYP1A2 4708/4885

“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.