SCHEMBL74700

SCHEMBL74700

CC(=O)c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 5/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPT P10636 4/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CES2 O00748 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL29695698 0.86 MAPK1 (0.52) MAPK1ALDH1A1CA12CA9TDP1
SCHEMBL4009107 0.86 MAPK1 (0.52) MAPK1ALDH1A1CA12CA9TDP1
SCHEMBL31415431 0.84 ALDH1A1 (0.44) MAPK1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL14269176 0.84 ALDH1A1 (0.44) MAPK1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL616678 0.84 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL3656114 0.83 MAPK1 (0.57) MAPK1ALDH1A1CA12CA9TDP1
Hydrochloric Acid SCHEMBL5875896 0.82 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL5875894 0.82 ALDH1A1 (0.52) MAPK1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6156511 0.82 KMT2A (0.65) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL2721981 0.81 ALDH1A1 (0.49) MAPK1ALDH1A1TDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447490-A Fluorescent probe with AIE (AIE) property, preparation method thereof and application of fluorescent probe in Al 3+ Application in recognition 阜阳师范大学 2024-01-26 CN claimed
CN-117343068-A Preparation method of FGFR2 inhibitor Lirafugatinib (RLY-4008) 上海相辉医药科技有限公司 2024-01-05 CN claimed
CN-115557865-A Thioether-promoted cysteine-based bioconjugation method 南京工业大学 2023-01-03 CN claimed
CN-113880786-A Synthesis method and antioxidant application of camphene aldehyde thiazole hydrazone derivative 江西农业大学 2022-01-04 CN claimed
CN-110408026-B Triarylamine polyimide containing pyrrole group and preparation method and application thereof 中国人民解放军海军勤务学院 2021-09-03 CN claimed
CN-1765503-A Quarternary ammonium salt of quinine compound, its preparation method and use NANJING UNIVERSITY OF TECHNOLOGY (CN) 2006-05-03 CN claimed
CN-117343068-B Preparation method of FGFR2 inhibitor Lirafugratinib (RLY-4008) 上海相辉医药科技有限公司 2026-04-28 CN disclosed
EP-4622716-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-10-01 EP disclosed
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
WO-2025110772-A1 IMIDAZOLO-PYRIDINE DERIVATIVES AND USES THEREOF 엘젠테라퓨틱스 주식회사 2025-05-30 WO disclosed
WO-2024112654-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-05-30 WO disclosed
EP-3705480-B1 CLASS OF AMINO-SUBSTITUTED NITROGEN-CONTAINING FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI RINGENE BIOPHARMA CO LTD (CN) 2024-02-28 EP disclosed
CN-117447490-A Fluorescent probe with AIE (AIE) property, preparation method thereof and application of fluorescent probe in Al 3+ Application in recognition 阜阳师范大学 2024-01-26 CN disclosed
CN-1042421-C Acridine derivatives GLAXO LAB SA (FR) 1999-03-10 CN disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP disclosed
CN-1186485-A Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 1998-07-01 CN disclosed
WO-1997049700-A1 DERIVATIVES OF 2-(2-OXO-ETHYLIDENE)-IMIDAZOLIDIN-4-ONE AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS PFIZER INC. (US) 1997-12-31 WO disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed
CN-1113241-A Antifungal agent, and preparation method and intermediate thereof EISAI CO LTD (JP) 1995-12-13 CN disclosed
EP-0044704-A1 Substituted pyrimidin-2-ones, the salts thereof, processes for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1982-01-27 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 (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-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 MAPK1 650/4885ALDH1A1 4598/4885CA12 1955/4885

“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.