SCHEMBL25637698

SCHEMBL25637698

Nc1ccc(Br)c([N+](=O)[O-])c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 4/20 0.46
TDP1 Q9NUW8 5/20 0.42
TYMS P04818 1/20 0.41
CTSB P07858 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 3/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36

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
SCHEMBL30118870 1.00 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1TYMSCTSB
SCHEMBL6048769 0.82 MEN1 (0.48) ALDH1A1CYP3A4TDP1MEN1KMT2A
SCHEMBL30488438 0.82 MEN1 (0.48) ALDH1A1CYP3A4TDP1MEN1KMT2A
SCHEMBL28063139 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4TDP1TYMSCTSB
SCHEMBL18338685 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4TDP1TYMSCTSB
SCHEMBL6786414 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1TYMSMEN1
SCHEMBL18424404 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4TDP1TYMSCTSB
SCHEMBL3469093 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1TYMSCTSB
SCHEMBL27540387 0.79 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1MEN1KMT2A
SCHEMBL597745 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116122057-A High-strength cold-resistant textile for aerospace use and manufacturing method thereof 西京学院 2023-05-16 CN claimed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
US-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2023-06-22 US disclosed
CN-116122057-A High-strength cold-resistant textile for aerospace use and manufacturing method thereof 西京学院 2023-05-16 CN disclosed
CN-115667226-A Tricyclic compounds as EGFR inhibitors 齐鲁制药有限公司 2023-01-31 CN disclosed
WO-2022059778-A1 CYCLIC UREA DERIVATIVE カルナバイオサイエンス株式会社 2022-03-24 WO disclosed
CN-107635558-A Bu Luomo domain inhibitor 赛尔基因昆蒂赛尔研究公司 2018-01-26 CN 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 (2 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-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 ALDH1A1 3656/4885CYP3A4 3056/4885TDP1 2926/4885
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 ALDH1A1 2690/4885CYP3A4 3314/4885TDP1 2827/4885

“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.