SCHEMBL902453

SCHEMBL902453

COc1ccc(Sc2c3ccc(OC)cc3nc3cccc(Br)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.44
PIK3CA P42336 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
DYRK1A Q13627 2/20 0.43
DYRK3 O43781 1/20 0.43
CDK9 P50750 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
NQO2 P16083 1/20 0.42
MAPT P10636 1/20 0.39

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
SCHEMBL902232 0.90 KDM1A (0.47) DHFRALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL902614 0.83 DYRK1A (0.43) DHFRDYRK1ADYRK3CDK9DYRK2
SCHEMBL902603 0.83 ABCG2 (0.57) DHFRMEN1KMT2AKDM4ELMNA
SCHEMBL15397415 0.81 DHFR (0.41) DHFRSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL901670 0.78 ALDH1A1 (0.47) DYRK1ADYRK3CDK9DYRK2DYRK1B
SCHEMBL902724 0.78 SMN1; SMN2 (0.45) PIK3CAHIF1AEPAS1ALDH1A1SMN1; SMN2
SCHEMBL15397420 0.76 KDM1A (0.50) DHFRALDH1A1SMN1; SMN2MEN1RAB9A
SCHEMBL901828 0.73 KDM1A (0.50) DHFRDYRK1ACDK9DYRK2DYRK1B
SCHEMBL15397414 0.71 MAPT (0.39) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL3541588 0.68 PTGIR (0.39) DHFRALDH1A1MEN1POLBKMT2A

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 DHFR 723/4885PIK3CA 2680/4885HIF1A 2840/4885

“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.