SCHEMBL162263

SCHEMBL162263

O=[N+]([O-])c1cccc(Br)c1CBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
GPR35 Q9HC97 2/20 0.45
ALDH1A1 P00352 6/20 0.41
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NOS1 P29475 1/20 0.40
CYP2C19 P33261 1/20 0.40
NOS2 P35228 1/20 0.40
BLM P54132 1/20 0.40
S100A4 P26447 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29704507 1.00 TDP1 (0.47) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
Acetic Acid SCHEMBL28222560 0.90 TDP1 (0.44) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL3420889 0.88 TDP1 (0.54) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL1372574 0.83 GPR35 (0.48) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL29704492 0.83 TDP1 (0.45) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL1161844 0.83 TDP1 (0.45) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL14253669 0.83 TDP1 (0.48) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL9550147 0.82 S100A4 (0.50) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL28715778 0.81 TDP1 (0.44) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL29800736 0.81 ALDH1A1 (0.48) TDP1GPR35ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025228902-A1 HETEROCYCLIC ACIDS AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-06 WO disclosed
WO-2025228899-A1 FURTHER HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-06 WO disclosed
WO-2025228892-A1 MONOARYL AND HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-06 WO disclosed
WO-2025228900-A1 ARYLAMIDE SUBSTITUTED INDAZOLES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-06 WO disclosed
US-20250333414-A1 HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2025-10-30 US disclosed
US-20250333398-A1 MONOARYL AND HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2025-10-30 US disclosed
US-12421217-B2 Pyrazine derivative or salt thereof, and use of same FUJIFILM CORPORATION (JP) 2025-09-23 US disclosed
EP-4608830-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2025-09-03 EP disclosed
EP-4067347-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2024-06-19 EP disclosed
WO-2024089155-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-02 WO disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP disclosed
WO-2005067933-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 WO disclosed
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-07-28 US disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed
US-5200544-A Acid generator, acid sensitive polymer; photosensitivity AT&T BELL LABORATORIES (US) 1993-04-06 US disclosed
US-5135838-A Resin sensitive to UV radiation and a nitrobenzyl compound that generates an acid AT&T BELL LABORATORIES (US) 1992-08-04 US disclosed
US-RE31617-E ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS BRISTOL-MYERS COMPANY (US) 1984-06-26 US disclosed
US-3932407-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1976-01-13 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 (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-20250333414-A1 HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT STING1, MAVS, TBK1 TDP1 602/4885GPR35 172/4885ALDH1A1 4038/4885
US-20250333398-A1 MONOARYL AND HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT STING1, MAVS, TBK1 TDP1 742/4885GPR35 160/4885ALDH1A1 3967/4885
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 TDP1 1556/4885GPR35 3066/4885ALDH1A1 1177/4885
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD TDP1 428/4885GPR35 2244/4885ALDH1A1 271/4885
US-12421217-B2 Pyrazine derivative or salt thereof, and use of same DHODH, IDH1, IDH2 TDP1 1422/4885GPR35 3104/4885ALDH1A1 117/4885

“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.