SCHEMBL4031896

SCHEMBL4031896

Nc1c(Br)ccc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 3/20 0.34
CYP19A1 P11511 3/20 0.34
NQO2 P16083 2/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RGS17 Q9UGC6 2/20 0.33

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
SCHEMBL30507560 1.00 AOC3 (0.50) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL11547575 0.78 TXNRD1 (0.39) AOC3TXNRD1TXNRD3TXNRD2ABCG2
Hydrochloric Acid SCHEMBL31668880 0.77 TXNRD1 (0.38) AOC3TXNRD1TXNRD3TXNRD2ABCG2
Hydrochloric Acid SCHEMBL30749426 0.77 TXNRD1 (0.38) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL14012978 0.75 NQO2 (0.44) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL1172231 0.75 TXNRD1 (0.37) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL3672985 0.75 AOC3 (0.50) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL12865263 0.75 AOC3 (0.50) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL14720885 0.75 AOC3 (0.42) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL174080 0.75 TXNRD1 (0.37) AOC3TXNRD1TXNRD3TXNRD2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400561-A1 NOVEL SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-12-05 US disclosed
CN-118251393-A Novel substituted sulfonylurea compounds as inhibitors of interleukin-1 activity 唯久生物技术(苏州)有限公司 2024-06-25 CN disclosed
US-20230365589-A1 NOVEL AMINE DERIVATIVES Sumitomo Pharma Co., Ltd. (JP) 2023-11-16 US disclosed
US-20230365589-A1 NOVEL AMINE DERIVATIVES Sumitomo Pharma Co., Ltd. (JP) 2023-11-16 US disclosed
US-20230365589-A1 NOVEL AMINE DERIVATIVES Sumitomo Pharma Co., Ltd. (JP) 2023-11-16 US disclosed
EP-4215534-A1 AMINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-07-26 EP disclosed
EP-4215534-A1 AMINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-07-26 EP disclosed
CN-116209441-A Novel amine derivatives 住友制药株式会社 2023-06-02 CN disclosed
US-20230138851-A1 NOVEL ALKYNE DERIVATIVES CARNA BIOSCIENCES, INC. (JP) 2023-05-04 US disclosed
US-20230138851-A1 NOVEL ALKYNE DERIVATIVES CARNA BIOSCIENCES, INC. (JP) 2023-05-04 US disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
US-20040034046-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-02-19 US disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 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 (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-20240400561-A1 NOVEL SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY IL1B, IL1A, IL18 AOC3 3818/4885TXNRD1 503/4885TXNRD3 1947/4885
US-20230138851-A1 NOVEL ALKYNE DERIVATIVES DYRK1B, DYRK3, DYRK2 AOC3 3131/4885TXNRD1 2029/4885TXNRD3 1721/4885
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 AOC3 3648/4885TXNRD1 1155/4885TXNRD3 2622/4885
US-20040034046-A1 Quinazoline derivatives NQO2, NRAS, TOP1 AOC3 3746/4885TXNRD1 941/4885TXNRD3 1371/4885
US-20230365589-A1 NOVEL AMINE DERIVATIVES DYRK2, DYRK1A, DYRK1B AOC3 1312/4885TXNRD1 2372/4885TXNRD3 2929/4885

“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.