SCHEMBL6298945

SCHEMBL6298945

CCOC(CCOc1ccccc1[N+](=O)[O-])OCC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
RECQL P46063 2/20 0.64
ALDH1A1 P00352 8/20 0.62
LMNA P02545 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 4/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL30018981 1.00 RAB9A (0.64) RAB9ANPC1RECQLALDH1A1LMNA
SCHEMBL22069615 0.85 RAB9A (0.58) RAB9ANPC1RECQLALDH1A1LMNA
SCHEMBL16861185 0.82 NPC1 (0.72) RAB9ANPC1RECQLALDH1A1LMNA
SCHEMBL171941 0.82 NPC1 (0.72) RAB9ANPC1RECQLALDH1A1LMNA
SCHEMBL10582384 0.82 RAB9A (0.54) RAB9ANPC1RECQLALDH1A1LMNA
SCHEMBL13735554 0.81 KMT2A (0.41) RAB9ANPC1RECQLALDH1A1LMNA
SCHEMBL3464612 0.80 NPC1 (0.79) RAB9ANPC1RECQLALDH1A1LMNA
SCHEMBL30159613 0.80 ALDH1A1 (0.79) RAB9ANPC1RECQLALDH1A1LMNA
SCHEMBL2436211 0.80 ALDH1A1 (0.79) RAB9ANPC1RECQLALDH1A1LMNA
SCHEMBL9187561 0.79 NPC1 (1.00) RAB9ANPC1RECQLALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12220419-B2 BCL-2 inhibitors NEWAVE PHARMACEUTICAL INC. (US) 2025-02-11 US disclosed
US-20230295183-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR NEWAVE PHARMACEUTICAL INC. 2023-09-21 US disclosed
EP-4110298-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-01-04 EP disclosed
CN-115484933-A Hot melt extrusion solid dispersions containing BCL2 inhibitors 广州麓鹏制药有限公司 2022-12-16 CN disclosed
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2022-11-24 US disclosed
US-20210315904-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2021-10-14 US disclosed
WO-2021066873-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2021-04-08 WO disclosed
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 WO disclosed
US-6933390-B2 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate WARNER-LAMBERT COMPANY (US) 2005-08-23 US disclosed
US-20040249185-A1 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate BARTH HUBERT (DE) 2004-12-09 US disclosed
US-6774242-B1 REACTING WITH INDOLE IN APROTIC SOLVENT GOEDECKE GMBH (DE) 2004-08-10 US disclosed
EP-1165512-A2 METHOD FOR ARYLATING AZA-HETEROCYCLES WITH ACTIVATED AROMATIC COMPOUNDS IN THE PRESENCE OF CESIUM CARBONATE GÖDECKE GMBH (DE) 2002-01-02 EP disclosed
WO-2000059883-A2 METHOD FOR PRODUCING N-ARYL-AZA-HETEROCYCLES IN THE PRESENCE OF CESIUM CARBONATE Gödecke GmbH (DE) 2000-10-12 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-20230295183-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR BCL2, BCL2L1, BCL2L2 RAB9A 932/4885NPC1 2558/4885RECQL 302/4885
US-20210315904-A1 BCL-2 INHIBITORS BCL2L10, BCL2, BCL2L11 RAB9A 478/4885NPC1 3788/4885RECQL 127/4885
US-20040249185-A1 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate AZI2, KCNH1, CA7 RAB9A 1479/4885NPC1 3071/4885RECQL 3995/4885
US-12220419-B2 BCL-2 inhibitors BCL2L10, BCL2, BCL2L11 RAB9A 478/4885NPC1 3788/4885RECQL 127/4885
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS BCL2L11, BCL2L10, BCL2 RAB9A 884/4885NPC1 3924/4885RECQL 61/4885

“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.