SCHEMBL810499

SCHEMBL810499

Cc1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.71
ACHE P22303 2/20 0.50
HSD17B10 Q99714 1/20 0.46
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ESPL1 Q14674 1/20 0.42
GPR35 Q9HC97 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
ACP1 P24666 1/20 0.41
POLB P06746 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 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
SCHEMBL31055057 1.00 TSHR (0.71) TSHRACHEHSD17B10CYP19A1ALDH1A1
Fluoride SCHEMBL27948299 0.98 TSHR (0.68) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL219410 0.84 CYP19A1 (0.55) TSHRCYP19A1ALDH1A1CYP3A4ESPL1
SCHEMBL1026447 0.84 CYP19A1 (0.62) TSHRCYP19A1ALDH1A1CYP3A4ESPL1
SCHEMBL1097495 0.84 TSHR (1.00) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL635130 0.84 TSHR (0.90) TSHRACHEHSD17B10CYP19A1ALDH1A1
Ammonia Solution, Strong SCHEMBL27814867 0.82 TSHR (0.49) TSHRACHEHSD17B10CYP19A1ALDH1A1
Nitrogen SCHEMBL27917117 0.79 CYP19A1 (0.56) TSHRCYP19A1ALDH1A1CYP3A4ESPL1
Benzene SCHEMBL27782128 0.79 CYP19A1 (0.56) TSHRCYP19A1ALDH1A1CYP3A4ESPL1
SCHEMBL19026582 0.77 CYP19A1 (0.68) TSHRCYP19A1ALDH1A1CYP3A4ESPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637445-B2 KIF18A inhibitors AMGEN INC. (US) 2026-05-26 US disclosed
US-12595258-B2 Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer TOLREMO THERAPEUTICS AG (CH) 2026-04-07 US disclosed
EP-4007756-B1 KIF18A INHIBITORS AMGEN INC (US) 2025-12-24 EP disclosed
US-12472179-B2 Combination of a CBP/p300 bromodomain inhibitor and a KRAS inhibitor for the treatment of cancer TOLREMO THERAPEUTICS AG (CH) 2025-11-18 US disclosed
EP-4007752-B1 KIF18A INHIBITORS AMGEN INC (US) 2025-09-24 EP disclosed
US-20250243191-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2025-07-31 US disclosed
US-20240327394-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2024-10-03 US disclosed
EP-4426289-A1 AKT3 MODULATORS Georgiamune Inc. (US) 2024-09-11 EP disclosed
EP-4424838-A2 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS Housey, Gerard M. (US) 2024-09-04 EP disclosed
CN-118574610-A AKT3 modulators 乔治穆内公司 2024-08-30 CN disclosed
CN-1515562-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
WO-2004039766-A1 PHENYLETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-05-13 WO disclosed
WO-2003072539-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-09-04 WO disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN disclosed
US-5270309-A Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders MERCK SHARP & DOHME LIMITED (GB) 1993-12-14 US disclosed
EP-0303387-B1 KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LTD. (GB) 1993-04-21 EP disclosed
EP-0303387-A1 Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1989-02-15 EP 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-12472179-B2 Combination of a CBP/p300 bromodomain inhibitor and a KRAS inhibitor for the treatment of cancer EP300, KRAS, BRD4 TSHR 3259/4885ACHE 3571/4885HSD17B10 3849/4885
US-12595258-B2 Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer SLC10A1, MAPT, SLC6A6 TSHR 3591/4885ACHE 2521/4885HSD17B10 662/4885
US-12637445-B2 KIF18A inhibitors KIF18A, KIF18B, KIF2C TSHR 1994/4885ACHE 4819/4885HSD17B10 1116/4885
US-20240327394-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TP53, MAPT, SLC10A1 TSHR 4220/4885ACHE 1237/4885HSD17B10 613/4885
US-20250243191-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TP53, MAPT, SLC10A1 TSHR 4220/4885ACHE 1237/4885HSD17B10 613/4885

“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.