SCHEMBL4145238

SCHEMBL4145238

O=c1c2cccc([N+](=O)[O-])c2ccn1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
RECQL P46063 1/20 0.55
DHPS P49366 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
EGLN1 Q9GZT9 2/20 0.44
HSPD1 P10809 1/20 0.44
HSPE1 P61604 1/20 0.44
TP53 P04637 1/20 0.43
GRM2 Q14416 2/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL1896629 0.88 GAA (0.53) GAARECQLDHPSTDP1ALDH1A1
SCHEMBL9395019 0.81 GAA (0.66) GAARECQLTDP1ALDH1A1MAPT
SCHEMBL15804003 0.81 RECQL (0.74) GAARECQLTDP1ALDH1A1MAPT
SCHEMBL3744328 0.81 KDM4E (0.53) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL1590033 0.79 GAA (0.62) GAARECQLTDP1ALDH1A1MAPT
SCHEMBL12702854 0.79 GAA (0.67) GAATDP1ALDH1A1GRM2
SCHEMBL1896463 0.79 MAPT (0.48) GAARECQLTDP1ALDH1A1MAPT
SCHEMBL3743685 0.79 GAA (0.46) GAARECQLDHPSTDP1MAPT
SCHEMBL4147543 0.78 PARP1 (0.62) DHPSALDH1A1MAPTMEN1KMT2A
SCHEMBL1590530 0.77 GAA (0.56) GAATDP1ALDH1A1MEN1KMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11286240-B2 Catalyst bound alpha radical and synthesis of OXO compounds using the same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-03-29 US claimed
US-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 US claimed
WO-2018163217-A2 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-09-13 WO claimed
US-11286240-B2 Catalyst bound alpha radical and synthesis of OXO compounds using the same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-03-29 US disclosed
US-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 US disclosed
WO-2018163217-A2 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-09-13 WO disclosed
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
US-7196088-B2 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196088-B2 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196088-B2 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO disclosed
EP-1601358-A1 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-07 EP disclosed
US-20040180874-A1 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC 2004-09-16 US disclosed
WO-2004078176-A1 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-16 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 (5 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-20040180874-A1 Substituted tetrahydroisoquinolines and uses thereof CYP3A5, CYP4X1, UGT1A1 GAA 2272/4885RECQL 20/4885DHPS 397/4885
US-11286240-B2 Catalyst bound alpha radical and synthesis of OXO compounds using the same CBR1, POR, CAT GAA 899/4885RECQL 901/4885DHPS 295/4885
US-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME CBR1, POR, CAT GAA 1103/4885RECQL 885/4885DHPS 238/4885
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GAA 4179/4885RECQL 2182/4885DHPS 3023/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GAA 4179/4885RECQL 2182/4885DHPS 3023/4885

“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.