SCHEMBL901828

SCHEMBL901828

Oc1ccc(Sc2c3ccccc3nc3cccc(Br)c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
DHFR P00374 2/20 0.43
TOP2A P11388 3/20 0.43
TOP2B Q02880 3/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 2/20 0.41
ABCG2 Q9UNQ0 3/20 0.36
POLB P06746 3/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GUSB P08236 2/20 0.36
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL15397420 0.86 KDM1A (0.50) KDM1ADHFRTOP2ATOP2BMEN1
SCHEMBL902232 0.83 KDM1A (0.47) KDM1ADHFRTOP2ATOP2BMEN1
SCHEMBL901721 0.80 TOP2A (0.47) KDM1ATOP2ATOP2BMEN1KMT2A
SCHEMBL15397415 0.76 DHFR (0.41) KDM1ADHFRTOP2ATOP2BMEN1
SCHEMBL902603 0.76 ABCG2 (0.57) DHFRMEN1KMT2AHTTABCG2
SCHEMBL902195 0.74 PDE5A (0.47) TOP2ATOP2BMEN1KMT2AABCG2
SCHEMBL902453 0.73 DHFR (0.44) KDM1ADHFRTOP2ATOP2BMEN1
SCHEMBL27977668 0.67 CDK9 (0.43) KDM1AMEN1KMT2AHTTPOLB
SCHEMBL902174 0.67 MAOA (0.61) MEN1KMT2AHTTABCG2POLB
SCHEMBL902201 0.67 KDM1A (0.50) KDM1ATOP2ATOP2BKMT2AHTT

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-20130310411-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2013-11-21 US disclosed
US-20130310411-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2013-11-21 US disclosed
EP-2621929-A1 NOVEL ACRIDINE DERIVATIVES Pharminox Limited (GB) 2013-08-07 EP disclosed
WO-2012042265-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2012-04-05 WO disclosed
WO-2012042265-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2012-04-05 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-20130310411-A1 NOVEL ACRIDINE DERIVATIVES TERT, NAT10, POT1 KDM1A 1148/4885DHFR 723/4885TOP2A 427/4885

“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.