SCHEMBL4264263

SCHEMBL4264263

Nc1c(O)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.51
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 3/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SNCA P37840 1/20 0.46
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CTSB P07858 1/20 0.43
LMNA P02545 1/20 0.43
GPR35 Q9HC97 4/20 0.43
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 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
Bromide SCHEMBL18614480 0.98 ERN1 (0.50) ERN1ALDH1A1MAPK1CYP3A4ALOX15
SCHEMBL221077 0.85 ALDH1A1 (0.57) ERN1ALDH1A1MAPK1CYP3A4ALOX15
SCHEMBL4167284 0.82 ERN1 (0.62) ERN1ALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL18614404 0.82 ERN1 (0.53) ERN1ALDH1A1MAPK1CYP3A4ALOX15
SCHEMBL8449685 0.80 ALDH1A1 (0.66) ALDH1A1MAPK1CYP3A4ALOX15HSD17B10
SCHEMBL1281710 0.79 ALDH1A1 (0.56) ERN1ALDH1A1MAPK1CYP3A4ALOX15
SCHEMBL29706644 0.79 ALDH1A1 (0.68) ERN1ALDH1A1MAPK1CYP3A4ALOX15
SCHEMBL2783704 0.79 ALDH1A1 (0.68) ERN1ALDH1A1MAPK1CYP3A4ALOX15
SCHEMBL4144580 0.79 ERN1 (0.69) ERN1ALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL2919736 0.78 CYP1A2 (0.52) ERN1ALDH1A1MAPK1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12251387-B2 Substituted quinoxalines and benzo[c][1,2,5]oxadiazoles as DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-03-18 US disclosed
US-20250059196-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-02-20 US disclosed
WO-2025036290-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海海和药物研究开发股份有限公司 2025-02-20 WO disclosed
EP-3740479-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-11-20 EP disclosed
EP-4458819-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-11-06 EP disclosed
US-12121524-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 US disclosed
CN-118451068-A Tri-fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed
CN-113544129-B Tricyclic compound preparation method and application thereof in medicine field 上海华汇拓医药科技有限公司 2024-07-23 CN disclosed
CN-111741955-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-02-23 CN disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20090275569-A1 Benzotriazine Inhibitors of Kinases TARGEGEN, INC. 2009-11-05 US disclosed
US-20090275569-A1 Benzotriazine Inhibitors of Kinases TARGEGEN, INC. 2009-11-05 US disclosed
US-20090275569-A1 Benzotriazine Inhibitors of Kinases TARGEGEN, INC. 2009-11-05 US disclosed
CN-101426772-A Benzotriazine inhibitors of kinases TARGEGEN INC (US) 2009-05-06 CN disclosed
US-7456176-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2008-11-25 US disclosed
US-7456176-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2008-11-25 US disclosed
US-7456176-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2008-11-25 US disclosed
EP-1809614-A2 BENZOTRIAZINE INHIBITORS OF KINASES Targegen, Inc. (US) 2007-07-25 EP disclosed
US-20050245524-A1 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2005-11-03 US disclosed
WO-2005096784-A2 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2005-10-20 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 (6 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-20090275569-A1 Benzotriazine Inhibitors of Kinases SRC, CAMK4, CAMK2G ERN1 2199/4885ALDH1A1 3789/4885MAPK1 132/4885
US-20250059196-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, CYP51A1, WEE2 ERN1 4560/4885ALDH1A1 792/4885MAPK1 1911/4885
US-12121524-B2 DNA-PK inhibitors POLK, DTYMK, DCK ERN1 648/4885ALDH1A1 3073/4885MAPK1 1217/4885
US-20050245524-A1 Benzotriazine inhibitors of kinases SRC, CAMK4, CAMK2G ERN1 2199/4885ALDH1A1 3789/4885MAPK1 132/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 ERN1 3382/4885ALDH1A1 2267/4885MAPK1 3671/4885
US-12251387-B2 Substituted quinoxalines and benzo[c][1,2,5]oxadiazoles as DNA-PK inhibitors TOP1, TOP2A, TOP2B ERN1 1275/4885ALDH1A1 1023/4885MAPK1 1104/4885

“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.