SCHEMBL902232

SCHEMBL902232

COc1ccc(Sc2c3ccccc3nc3cccc(Br)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
DHFR P00374 1/20 0.46
TOP2A P11388 2/20 0.45
TOP2B Q02880 2/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
RAD52 P43351 1/20 0.44
GFER P55789 1/20 0.44
MEN1 O00255 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SYK P43405 1/20 0.40
AURKA O14965 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL902453 0.90 DHFR (0.44) KDM1ADHFRTOP2ATOP2BKMT2A
SCHEMBL902603 0.88 ABCG2 (0.57) DHFRKMT2AMEN1ABCG2CYP1A2
SCHEMBL15397420 0.85 KDM1A (0.50) KDM1ADHFRTOP2ATOP2BKMT2A
SCHEMBL901828 0.83 KDM1A (0.50) KDM1ADHFRTOP2ATOP2BKMT2A
SCHEMBL901721 0.82 TOP2A (0.47) KDM1ATOP2ATOP2BKMT2APOLB
SCHEMBL902195 0.76 PDE5A (0.47) TOP2ATOP2BKMT2APOLBMEN1
SCHEMBL15397415 0.75 DHFR (0.41) KDM1ADHFRTOP2ATOP2BKMT2A
SCHEMBL5473235 0.73 KMT2A (0.40) KDM1ADHFRTOP2ATOP2BKMT2A
SCHEMBL15397407 0.72 ABCG2 (0.67) KDM1ADHFRTOP2ATOP2BKMT2A
SCHEMBL902724 0.72 SMN1; SMN2 (0.45) KDM1AKMT2APOLBMEN1ABCG2

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.