SCHEMBL601816

SCHEMBL601816

O=C(OCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
ALDH1A1 P00352 6/20 0.60
TDP1 Q9NUW8 3/20 0.60
GPR35 Q9HC97 2/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.45
MAPT P10636 6/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
CES2 O00748 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 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
SCHEMBL601817 0.89 CYP1A2 (0.63) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL601818 0.89 CYP1A2 (0.63) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL7057948 0.88 CYP1A2 (0.57) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL16390168 0.88 ALDH1A1 (0.61) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL11025091 0.84 ALDH1A1 (0.54) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL4942315 0.83 CYP1A2 (0.58) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL11026162 0.83 ALDH1A1 (0.56) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL16389774 0.83 ALDH1A1 (0.77) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL27961047 0.81 CYP1A2 (0.68) CYP1A2ALDH1A1TDP1GPR35MAPK1
SCHEMBL16389747 0.81 ALDH1A1 (0.56) CYP1A2ALDH1A1TDP1GPR35MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419513-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2025-08-27 EP disclosed
US-12384800-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2025-08-12 US disclosed
US-20250243174-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2025-07-31 US disclosed
WO-2025077996-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2025-04-17 WO disclosed
WO-2025050647-A1 IONIZABLE CATIONIC LIPID COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 晟迪生物医药(苏州)有限公司 2025-03-13 WO disclosed
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 US disclosed
EP-4419513-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2024-08-28 EP disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 US disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
WO-2024074604-A1 COMPOUNDS FOR THE MANAGEMENT OF CELL STEMNESS AND INVASION IN CANCER AND RELATED DISEASES INSTITUTO BIOMAR, S.A (ES) 2024-04-11 WO disclosed
WO-2009077401-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-06-25 WO disclosed
US-20090131406-A1 CROPWELLLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS BAYER CROPSCIENCE AG (DE) 2009-05-21 US disclosed
EP-2032551-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-03-11 EP disclosed
US-20090047348-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-02-19 US disclosed
WO-2008153277-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 WO disclosed
WO-2008153278-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS -LINK, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 WO disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 WO disclosed
US-20060173172-A1 Method for producing novel spinosyn derivatives JESCHKE PETER 2006-08-03 US disclosed
US-7034130-B2 Method for producing novel spinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-04-25 US disclosed
US-20040242858-A1 Method for producing novel spinosyn derivatives BAYER CROPSCIENCE AG (DE) 2004-12-02 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 (9 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-12384800-B2 Antitumoral compounds TP53, TOP1, MCL1 CYP1A2 2071/4885ALDH1A1 144/4885TDP1 2134/4885
US-20060173172-A1 Method for producing novel spinosyn derivatives COX15, SYVN1, CYP51A1 CYP1A2 124/4885ALDH1A1 1286/4885TDP1 1403/4885
US-20040242858-A1 Method for producing novel spinosyn derivatives COX15, SYVN1, CYP51A1 CYP1A2 124/4885ALDH1A1 1286/4885TDP1 1403/4885
US-20250243174-A1 ANTITUMORAL COMPOUNDS MCL1, XPOT, GZMB CYP1A2 1153/4885ALDH1A1 318/4885TDP1 1964/4885
US-20090131406-A1 CROPWELLLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS COIL, CIAPIN1, MEN1 CYP1A2 2316/4885ALDH1A1 3824/4885TDP1 2823/4885
US-20090047348-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PGLS, NAPEPLD CYP1A2 3344/4885ALDH1A1 3212/4885TDP1 486/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL CYP1A2 1836/4885ALDH1A1 785/4885TDP1 1196/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 CYP1A2 2071/4885ALDH1A1 144/4885TDP1 2134/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC CYP1A2 1940/4885ALDH1A1 795/4885TDP1 2014/4885

“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.