SCHEMBL1428347

SCHEMBL1428347

COc1ccc2nc3cc(Cl)ccc3cc2c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MBNL1 Q9NR56 1/20 0.41
ACHE P22303 5/20 0.41
BCHE P06276 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
AMY1A P0DUB6 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
SCHEMBL12068383 0.74 KDM4E (0.50) KDM4EGAAMAPTALDH1A1AMY1A
SCHEMBL29445571 0.73 APP (0.70) KDM4ETHRBBLMMEN1KMT2A
SCHEMBL12488031 0.73 APP (0.70) KDM4ETHRBBLMMEN1KMT2A
SCHEMBL106725 0.73 APP (0.70) KDM4ETHRBBLMMEN1KMT2A
SCHEMBL29365544 0.73 APP (0.70) KDM4ETHRBBLMMEN1KMT2A
SCHEMBL8320381 0.73 NQO2 (0.45) KDM4EMAPK1ALDH1A1AMY1ATSHR
SCHEMBL28998075 0.70 KMT2A (0.66) KDM4ENPC1MAPK1GAAMAPT
Acridine SCHEMBL28132121 0.70 APP (0.60) KDM4ETHRBBLMMEN1KMT2A
SCHEMBL12068392 0.69 ALDH1A1 (0.57) KDM4ENPC1RAB9AL3MBTL1MEN1
SCHEMBL278565 0.69 NCF1 (0.56) KDM4ENPC1MAPTRAB9AL3MBTL1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174993-A1 PROBE LIBRARY CONSTRUCTION President and Fellows of Harvard College (US) 2017-06-07 EP disclosed
WO-2016018963-A9 PROBE LIBRARY CONSTRUCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-03-24 WO disclosed
WO-2016018963-A1 PROBE LIBRARY CONSTRUCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-02-04 WO disclosed
CN-102686997-B Single molecule detection system and method INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (CN) 2014-10-29 CN disclosed
CN-102686997-A Single molecule detection system and method IND TECH RES INST 2012-09-19 CN disclosed
EP-2313516-A1 COMPOSITIONS AND METHODS FOR MODULATING NOD-LIKE RECEPTOR ACTIVITY AND USES THEREOF Burnham Institute for Medical Research (US) 2011-04-27 EP disclosed
EP-2300801-A1 APPARATUS AND METHOD FOR DETECTION AND DISCRIMINATION MOLECULAR OBJECT Industrial Technology Research Institute (TW) 2011-03-30 EP disclosed
WO-2010102567-A1 APPARATUS AND METHOD FOR DETECTION AND DISCRIMINATION MOLECULAR OBJECT INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (CN) 2010-09-16 WO disclosed
WO-2010009350-A2 COMPOSITIONS AND METHODS FOR MODULATING NOD-LIKE RECEPTOR ACTIVITY AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 WO disclosed
US-6982252-B2 Inhibition of vacuolar proton ATPase activity and/or the modulation of acidic organelle function sensitizes cells to radiation, chemotherapy and biological agents MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2006-01-03 US disclosed
WO-2003047350-A1 INHIBITION OF VACUOLAR PROTON ATPASE AND/OR MODULATION OF ACIDIC ORGANELLE FUNCTION SENSITIZES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-06-12 WO disclosed
US-20020156025-A1 Inhibition of vacuolar proton ATPase activity and/or the modulation of acidic organelle function sensitizes cells to radiation, chemotherapy and biological agents MEMORIAL SLOAN-KETTERING CANCER CENTER 2002-10-24 US 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-20020156025-A1 Inhibition of vacuolar proton ATPase activity and/or the modulation of acidic organelle function sensitizes cells to radiation, chemotherapy and biological agents ATP6V1H, ATP6V1E1, ATP6AP1 KDM4E 4066/4885NPC1 1692/4885MAPK1 443/4885

“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.