SCHEMBL100105

SCHEMBL100105

O=Cc1ccc(Br)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.62
ABAT P80404 1/20 0.62
VCAM1 P19320 1/20 0.62
ALDH1A1 P00352 9/20 0.56
MAPT P10636 5/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH3A1 P30838 2/20 0.53
ALDH1A3 P47895 1/20 0.53
HPGD P15428 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
XDH P47989 2/20 0.50
CYP2D6 P10635 1/20 0.47
TTR P02766 1/20 0.43
ERN1 O75460 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL7622086 0.93 ALDH5A1 (0.56) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL99723 0.85 ALDH5A1 (0.58) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL16958918 0.83 MAPT (0.55) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL16960708 0.83 ALDH1A1 (0.55) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL1466944 0.82 ALDH5A1 (0.69) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL31484716 0.82 ALDH5A1 (0.69) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL740884 0.79 MAPT (0.62) ALDH5A1ABATALDH1A1MAPTKDM4E
SCHEMBL3068948 0.79 MAPT (0.62) ALDH5A1ABATALDH1A1MAPTKDM4E
SCHEMBL740207 0.79 MAPT (0.62) ALDH5A1ABATALDH1A1MAPTKDM4E
SCHEMBL10971487 0.78 ALDH5A1 (0.65) ALDH5A1ABATVCAM1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853726-B Colorimetric probe for detecting cyanide ions and preparation method and application thereof 上海应用技术大学 2023-05-30 CN claimed
CN-114853726-A Colorimetric probe for cyanide ion detection and preparation method and application thereof 上海应用技术大学 2022-08-05 CN claimed
CN-109897006-B Preparation method of mesosulfuron-methyl 扬州大学 2022-06-03 CN claimed
CN-113072552-A Beta-carboline GSK3 beta/DYRK 1A dual inhibitor, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2021-07-06 CN claimed
US-12497377-B2 Tricyclic spiro compound ONO PHARMACEUTICAL CO., LTD. (JP) 2025-12-16 US disclosed
WO-2025103477-A1 COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2025-05-22 WO disclosed
CN-113631168-B GPR35 modulators 普罗米修斯生物科学公司 2024-11-19 CN disclosed
EP-3914256-B1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES INC (US) 2024-05-29 EP disclosed
CN-117623931-A Preparation method of safe and environment-friendly mono-nitro aromatic hydrocarbon 清源创新实验室 2024-03-01 CN disclosed
US-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2023-11-09 US disclosed
US-20230348394-A1 COMPOSITIONS AND METHODS FOR TREATING MUSCULAR DYSTROPHIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-02 US disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 US disclosed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
WO-2001083480-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
WO-2001066544-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed
US-6162918-A Xanthene and acridine derivatives HOFFMANN-LA ROCHE INC. (US) 2000-12-19 US disclosed
US-5969139-A INHIBITORS OF HERPES SIMPLEX VIRUS THYMIDINE KINASE HOFFMANN-LA ROCHE INC. (US) 1999-10-19 US disclosed
EP-0823426-A1 Xanthene and acridine derivatives and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-02-11 EP disclosed
EP-0699196-A1 CARBAZOLE DERIVATIVES WITH 17,20-LYASE-INHIBITING ACTIVITY GLAXO GROUP LIMITED (GB) 1996-03-06 EP disclosed
WO-1994027989-A1 CARBAZOLE DERIVATIVES WITH 17,20-LYASE-INHIBITING ACTIVITY GLAXO GROUP LIMITED (GB) 1994-12-08 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 (4 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-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE HDAC7, ACHE, BRDT ALDH5A1 534/4885ABAT 20/4885VCAM1 4878/4885
US-11773101-B2 GPR35 modulators GPR35, GPR55, GPR65 ALDH5A1 2069/4885ABAT 1254/4885VCAM1 1263/4885
US-20230348394-A1 COMPOSITIONS AND METHODS FOR TREATING MUSCULAR DYSTROPHIES TNNC1, PYGM, GYS1 ALDH5A1 1562/4885ABAT 420/4885VCAM1 2819/4885
US-12497377-B2 Tricyclic spiro compound PTGER4, PTGER1, PTGER3 ALDH5A1 1543/4885ABAT 4303/4885VCAM1 2811/4885

“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.