SCHEMBL8690

SCHEMBL8690

COc1cc(CON)c([N+](=O)[O-])cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CYP2D6 P10635 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 1/20 0.50
PRKDC P78527 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.45
CTSD P07339 2/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL5058658 0.86 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL12978933 0.86 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL16033288 0.83 ALDH1A1 (0.54) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL27700248 0.83 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL124590 0.82 ALDH1A1 (0.63) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL3645769 0.82 ALDH1A1 (0.59) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL18314720 0.82 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL113462 0.81 NPC1 (0.53) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
Methane SCHEMBL25287143 0.81 ALDH1A1 (0.55) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL4043187 0.81 ALDH1A1 (0.57) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A

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 1425 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12611461-B2 Bioorthogonal compositions TAMBO, INC. (US) 2026-04-28 US disclosed
US-12611462-B2 Compounds and compositions including phosphorothioated oligodeoxynucleotide, and methods of use thereof CITY OF HOPE (US) 2026-04-28 US disclosed
US-12589162-B2 Trans-cyclooctene prodrug of monomethyl auristatin E TAMBO, INC. (US) 2026-03-31 US disclosed
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
US-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
US-20260028662-A1 OPLOPHORUS-DERIVED LUCIFERASES, NOVEL COELENTERAZINE SUBSTRATES, AND METHODS OF USE PROMEGA CORP (US) 2026-01-29 US disclosed
US-12527874-B2 Bioorthogonal compositions TAMBO, INC. (US) 2026-01-20 US disclosed
US-20260007759-A1 TRANS-CYCLOOCTENE PRODRUG OF MONOMETHYL AURISTATIN E TAMBO, INC. 2026-01-08 US disclosed
US-20250378926-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC (US) 2025-12-11 US disclosed
US-20250368608-A1 SELECTIVE HDAC6 INHIBITOR ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2025-12-04 US disclosed
WO-2003004479-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-16 WO disclosed
US-20030008896-A1 Isoquinolinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2003-01-09 US disclosed
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2002-12-05 US disclosed
WO-2002090334-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2002-11-14 WO disclosed
WO-2002036576-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2002-05-10 WO disclosed
WO-2002030879-A2 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-18 WO disclosed
WO-2002030932-A2 N8,N13-DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-04-18 WO disclosed
WO-2002026696-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 WO disclosed
WO-2002026703-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ETHER LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 WO disclosed
WO-2002008193-A2 THERAPEUTIC ACRIDONE AND ACRIDINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-01-31 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 (12 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-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole SLC6A3, SLC6A2, HTR2C ALDH1A1 1951/4885CYP2D6 90/4885L3MBTL1 3879/4885
US-20250368608-A1 SELECTIVE HDAC6 INHIBITOR HDAC6, HDAC3, HDAC1 ALDH1A1 3394/4885CYP2D6 1297/4885L3MBTL1 3884/4885
US-20250378926-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS MKI67, BRCA1, CLN6 ALDH1A1 2917/4885CYP2D6 4789/4885L3MBTL1 213/4885
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives PARP1, PARP11, PARP3 ALDH1A1 208/4885CYP2D6 1311/4885L3MBTL1 37/4885
US-12589162-B2 Trans-cyclooctene prodrug of monomethyl auristatin E AURKC, AURKA, QPCT ALDH1A1 2176/4885CYP2D6 2431/4885L3MBTL1 1775/4885
US-20030008896-A1 Isoquinolinone derivatives PARP1, PARP2, PARP3 ALDH1A1 534/4885CYP2D6 1330/4885L3MBTL1 1084/4885
US-12611462-B2 Compounds and compositions including phosphorothioated oligodeoxynucleotide, and methods of use thereof STAT3, NSUN2, STAT1 ALDH1A1 4751/4885CYP2D6 4594/4885L3MBTL1 1025/4885
US-20260028662-A1 OPLOPHORUS-DERIVED LUCIFERASES, NOVEL COELENTERAZINE SUBSTRATES, AND METHODS OF USE RNGTT, VIP, PREP ALDH1A1 3849/4885CYP2D6 2205/4885L3MBTL1 269/4885
US-12611461-B2 Bioorthogonal compositions ACVRL1, FCGR2A, CHIT1 ALDH1A1 936/4885CYP2D6 2939/4885L3MBTL1 629/4885
US-20260007759-A1 TRANS-CYCLOOCTENE PRODRUG OF MONOMETHYL AURISTATIN E CCL5, CXCL10, SLC7A11 ALDH1A1 2829/4885CYP2D6 3340/4885L3MBTL1 2277/4885
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class HTR2C, SLC6A2, DRD2 ALDH1A1 1469/4885CYP2D6 92/4885L3MBTL1 3800/4885
US-12527874-B2 Bioorthogonal compositions CD44, FLNA, H1-5 ALDH1A1 663/4885CYP2D6 1689/4885L3MBTL1 4783/4885

“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.