SCHEMBL3942989

SCHEMBL3942989

COC(=O)CCCOc1cc([N+](=O)[O-])c(C=O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
MAPT P10636 7/20 0.64
CYP3A4 P08684 4/20 0.64
KDM4E B2RXH2 2/20 0.64
ALOX15 P16050 1/20 0.64
PRKDC P78527 1/20 0.64
HSD17B10 Q99714 1/20 0.64
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 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
SCHEMBL14439519 0.94 ALDH1A1 (0.66) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL18953087 0.90 ALDH1A1 (0.60) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL18039273 0.89 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL27118585 0.89 ALDH1A1 (0.66) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL4185655 0.89 ALDH1A1 (0.66) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL28629055 0.86 ALDH1A1 (0.77) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL18554131 0.85 ALDH1A1 (0.57) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2553602 0.85 ALDH1A1 (0.68) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2557444 0.84 ALDH1A1 (0.66) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL30944553 0.84 ALDH1A1 (0.44) ALDH1A1MAPTCYP3A4KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028903-B Hydrogel and preparation method and application thereof 广州创赛生物医用材料有限公司 2023-04-07 CN claimed
CN-115028903-A Hydrogel and preparation method and application thereof 广州创赛生物医用材料有限公司 2022-09-09 CN claimed
US-12583857-B2 Anti-liferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2026-03-24 US disclosed
WO-2025224196-A1 COMPOUNDS KING'S COLLEGE LONDON (GB) 2025-10-30 WO disclosed
EP-4633738-A1 CYTOTOXIC COMPOUNDS Pheon Therapeutics Ltd (GB) 2025-10-22 EP disclosed
US-20250011317-A1 ANTI-PROLIFERATIVE AGENTS PHEON THERAPEUTICS LTD (GB) 2025-01-09 US disclosed
WO-2024127333-A1 CYTOTOXIC COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2024-06-20 WO disclosed
WO-2024127332-A1 CYTOTOXIC COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2024-06-20 WO disclosed
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2024-02-27 US disclosed
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2024-02-27 US disclosed
CN-116870243-B Hydrogel with hemostatic and anti-inflammatory effects and preparation method and application thereof 广州创赛生物医用材料有限公司 2024-01-19 CN disclosed
WO-2007039752-A1 ALKYL 4- [4- (5-OXO-2, 3, 5, 11A-TETRAHYD0-5H-PYRR0L0 [2, 1-C] [1, 4] BENZODIAZEPINE-8-YLOXY) -BUTYRYLAMINO]-1H-PYRROLE-2-CARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF A PROLIFERATIVE DISEASE SPIROGEN LIMITED (GB) 2007-04-12 WO disclosed
WO-2007039752-A1 ALKYL 4- [4- (5-OXO-2, 3, 5, 11A-TETRAHYD0-5H-PYRR0L0 [2, 1-C] [1, 4] BENZODIAZEPINE-8-YLOXY) -BUTYRYLAMINO]-1H-PYRROLE-2-CARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF A PROLIFERATIVE DISEASE SPIROGEN LIMITED (GB) 2007-04-12 WO disclosed
US-7169814-B2 Guanidinium transport reagents and conjugates THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-01-30 US disclosed
US-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-11-23 US disclosed
EP-1664049-A1 SYNTHESIS OF PROTECTED PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2006-06-07 EP disclosed
WO-2005023814-A1 SYNTHESIS OF PROTECTED PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2005-03-17 WO disclosed
US-20040152629-A1 For use as anticancer compounds and prodrugs CANCER RESEARCH VENTURES LIMITED (GB) 2004-08-05 US disclosed
EP-1351912-A2 SUBSTITUTED STILBENES, THEIR REACTIONS AND ANTICANCER ACTIVITY Cancer Research Ventures Limited (GB) 2003-10-15 EP disclosed
WO-2002050007-A2 SUBSTITUTED STILBENES, THEIR REACTIONS AND ANTICANCER ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-06-27 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-20040152629-A1 For use as anticancer compounds and prodrugs QPCT, PAM, AURKB ALDH1A1 1417/4885MAPT 3571/4885CYP3A4 115/4885
US-12583857-B2 Anti-liferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines CNR1, MTNR1B, MTNR1A ALDH1A1 1463/4885MAPT 3224/4885CYP3A4 2445/4885
US-20250011317-A1 ANTI-PROLIFERATIVE AGENTS CCND2, BRD2, CCND3 ALDH1A1 3182/4885MAPT 4580/4885CYP3A4 1490/4885
US-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SBDS, DRD2, GRIN2D ALDH1A1 2133/4885MAPT 852/4885CYP3A4 281/4885
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines MKI67, CCND2, CCND1 ALDH1A1 443/4885MAPT 2106/4885CYP3A4 1486/4885

“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.