SCHEMBL278730

SCHEMBL278730

CCc1ccc(Br)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CYP2D6 P10635 1/20 0.50
KAT2B Q92831 1/20 0.49
MAPT P10636 6/20 0.41
LMNA P02545 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALPG P10696 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL9488146 0.85 KAT2B (0.49) ALDH1A1CYP2D6KAT2BMAPTLMNA
SCHEMBL672403 0.85 ALDH1A1 (0.49) ALDH1A1CYP2D6MAPTLMNAKMT2A
SCHEMBL29519283 0.85 ALDH1A1 (0.49) ALDH1A1CYP2D6MAPTLMNAKMT2A
SCHEMBL9138875 0.85 ALDH1A1 (0.49) ALDH1A1CYP2D6MAPTLMNAKMT2A
SCHEMBL3073523 0.83 ALDH1A1 (0.47) ALDH1A1CYP2D6MAPTLMNAKMT2A
SCHEMBL30385788 0.83 ALDH1A1 (0.47) ALDH1A1CYP2D6MAPTLMNAKMT2A
SCHEMBL10959235 0.82 TSHR (0.55) ALDH1A1KAT2BMAPTLMNAKMT2A
SCHEMBL6208751 0.81 TSHR (0.49) ALDH1A1CYP2D6MAPTLMNAKMT2A
SCHEMBL279049 0.81 ALDH1A1 (0.50) ALDH1A1CYP2D6MAPTGAAKDM4E
SCHEMBL15286114 0.81 ALDH1A1 (0.46) ALDH1A1CYP2D6MAPTLMNAKMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59065037-A None JP disclosed
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 WO disclosed
CN-105085433-B Substituted amide phenol compound and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2019-06-25 CN disclosed
CN-105085433-A Substituted-amide phenolic compound, preparation method, pharmaceutical composition and application thereof SHANGHAI INST MATERIA MEDICA 2015-11-25 CN disclosed
US-8134143-B2 2,7-carbazolenevinylene derivatives as novel materials in producing organic based electronic devices NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2012-03-13 US disclosed
US-20070176163-A1 2,7-Carbazolenevinylene derivatives as novel materials in producing organic based electronic devices NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2007-08-02 US disclosed
US-6660755-B2 Controlling cell proliferation agent; skin disorders; antiinflamamtory agents ALLERGAN, INC. 2003-12-09 US disclosed
US-20030109687-A1 Substituted diaryl or diheteroaryl methans, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity ALLERGAN, INC. 2003-06-12 US disclosed
US-6455701-B1 SUCH AS 4-((4'-TERT-BUTYL-3'-(4?-TRIFLUOROMETHYL)PHENOXY) PHENYLETHYNYL)BENZOIC ACID; SIDE EFFECT REDUCTION ALLERGAN, INC. 2002-09-24 US disclosed
US-6187950-B1 A REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES ALLERGAN, INC. 2001-02-13 US disclosed
US-5919970-A Substituted diaryl or diheteroaryl methanes, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity ALLERGAN SALES, INC. (US) 1999-07-06 US disclosed
US-5691323-A BENZIMIDAZOL-2-ONES MERCK & CO., INC. (US) 1997-11-25 US disclosed
US-5574044-A BENZIMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF MYOPIA MERCK & CO., INC. (US) 1996-11-12 US disclosed
WO-1996013262-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1996-05-09 WO disclosed
JP-S5965037-A PREPARATION OF 4-ACETYL-2-FLUOROBIPHENYL NISSHIN FLOUR MILLING CO LTD 1984-04-13 JP 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 (1 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-20030109687-A1 Substituted diaryl or diheteroaryl methans, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity RXRB, RXRA, RXRG ALDH1A1 2168/4885CYP2D6 955/4885KAT2B 1889/4885

“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.