SCHEMBL2923055

SCHEMBL2923055

COc1ccc2cc3ccccc3nc2c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 8/20 0.55
TLR8 Q9NR97 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
GLA P06280 2/20 0.45
HPGD P15428 1/20 0.45
ACHE P22303 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL28215106 0.83 TLR8 (0.56) NQO2TLR8NPC1RAB9AKDM4E
SCHEMBL6239156 0.81 NQO2 (0.67) NQO2TLR8NPC1RAB9AKDM4E
SCHEMBL30228371 0.81 NQO2 (0.67) NQO2TLR8NPC1RAB9AKDM4E
SCHEMBL7755602 0.77 NQO2 (0.67) NQO2NPC1RAB9AKDM4EALDH1A1
SCHEMBL9755341 0.77 POLB (0.55) NQO2TLR8NPC1RAB9AKDM4E
SCHEMBL6972381 0.76 NQO2 (0.63) NQO2TLR8NPC1RAB9AKDM4E
SCHEMBL4902020 0.75 ALDH1A1 (0.70) NQO2NPC1RAB9AKDM4EALDH1A1
SCHEMBL16671109 0.72 POLB (0.48) NQO2TLR8NPC1RAB9AKDM4E
SCHEMBL29977206 0.72 POLB (0.48) NQO2TLR8NPC1RAB9AKDM4E
SCHEMBL4916091 0.72 ALDH1A1 (0.50) NQO2TLR8NPC1RAB9AKDM4E

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
EP-1257538-B1 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2010-09-08 EP disclosed
US-6589961-B2 For inhibiting metastases of a tumor in a mammal NEW YORK MEDICAL COLLEGE 2003-07-08 US disclosed
EP-1257538-A2 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2002-11-20 EP disclosed
US-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NEW YORK MEDICAL COLLEGE 2002-07-25 US disclosed
WO-2001060801-A2 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2001-08-23 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-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NPPA, ABCB11, ABCC9 NQO2 119/4885TLR8 599/4885NPC1 54/4885

“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.