SCHEMBL165577

SCHEMBL165577

O=[N+]([O-])c1cc(Cl)ccc1Br

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.59
TSHR P16473 1/20 0.59
PDE7A Q13946 7/20 0.57
PDE7B Q9NP56 5/20 0.57
VCAM1 P19320 1/20 0.55
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP2D6 P10635 1/20 0.50
KIF18A Q8NI77 1/20 0.47
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL29764490 1.00 MAPK1 (0.59) MAPK1TSHRPDE7APDE7BVCAM1
SCHEMBL29473418 0.83 MAPK1 (0.64) MAPK1TSHRPDE7APDE7BVCAM1
SCHEMBL1511847 0.83 MAPK1 (0.64) MAPK1TSHRPDE7APDE7BVCAM1
SCHEMBL1524058 0.80 MAPK1 (0.72) MAPK1TSHRPDE7APDE7BVCAM1
SCHEMBL29394047 0.78 MAPK1 (0.69) MAPK1TSHRPDE7APDE7BVCAM1
SCHEMBL24508 0.78 S100A4 (0.56) MAPK1ALDH1A1CYP2D6LMNAKDM4E
SCHEMBL358730 0.78 MAPK1 (0.69) MAPK1TSHRPDE7APDE7BVCAM1
SCHEMBL29395434 0.78 S100A4 (0.56) MAPK1ALDH1A1CYP2D6LMNAKDM4E
SCHEMBL6125034 0.78 MAPK1 (0.63) MAPK1TSHRPDE7APDE7BVCAM1
SCHEMBL16491549 0.78 PDE7A (0.52) MAPK1TSHRPDE7APDE7BVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072552-A Beta-carboline GSK3 beta/DYRK 1A dual inhibitor, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2021-07-06 CN claimed
CN-104402920-B A kind of method for synthesizing the chloroaniline of 2 halo, 3 pinacol borate 5 河南科技学院 2018-04-03 CN claimed
CN-104402920-A Method for synthesizing 2-halogenated-3-pinacol borate-5-chloroaniline XUE FENG 2015-03-11 CN claimed
WO-2015022282-A1 NITROGEN-DOPED CARBON NANOTUBES AS HIGH SELECTIVE NOBLE METAL-FREE CATALYSTS FOR HYDROGENATION OF FUNCTIONALIZED NITROAROMATICS BAYER CROPSCIENCE AG (DE) 2015-02-19 WO claimed
EP-2837612-A1 Nitrogen-doped carbon nanotubes as high selective noble metal-free catalysts for hydrogenation of functionalized nitroaromatics Bayer Technology Services GmbH (DE) 2015-02-18 EP claimed
EP-3749325-B1 DREADD ACTUATORS US HEALTH (US) 2026-04-08 EP disclosed
US-20260085067-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF BOUNDLESS BIO INC (US) 2026-03-26 US disclosed
US-12588407-B2 Organic light-emitting element LG CHEM, LTD. (KR) 2026-03-24 US disclosed
EP-4676922-A1 BIFUNCTIONAL COMPOUNDS CAPABLE OF DEGRADING ANDROGEN RECEPTORS Astrazeneca AB (SE) 2026-01-14 EP disclosed
US-12495718-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2025-12-09 US disclosed
US-12419191-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2025-09-16 US disclosed
EP-4587437-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2025-07-23 EP disclosed
CN-1114506-A Heterobicyclic sulfonamide derivatives and sulfonate derivatives EISAI CO LTD (JP) 1996-01-03 CN disclosed
EP-0673937-A1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES Eisai Co., Ltd. (JP) 1995-09-27 EP disclosed
EP-0493030-A1 Preparation of difluorobenzenes RHONE-POULENC CHEMICALS LIMITED (GB) 1992-07-01 EP disclosed
EP-0017455-B1 LINEAR CRYSTALLINE ALPHA-ALKYLPOLYBENZYLS AND PROCESS FOR PREPARING THEM EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-04-13 EP disclosed
US-4259475-A FRIEDEL-CRAFTS COMPLEX CATALYST EXXON RESEARCH & ENGINEERING CO. (US) 1981-03-31 US disclosed
EP-0017455-A1 Linear crystalline alpha-alkylpolybenzyls and process for preparing them EXXON RESEARCH AND ENGINEERING COMPANY (US) 1980-10-15 EP disclosed
US-4191760-A ANTISCHIZOPHRENICS ABBOTT LABORATORIES (US) 1980-03-04 US disclosed
US-4096261-A ANTISCHIZOPHRENICS ABBOTT LABORATORIES (US) 1978-06-20 US 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 (4 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-12419191-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof PIEZO1, OR51E2, OR10J3 MAPK1 493/4885TSHR 4607/4885PDE7A 4819/4885
US-12495718-B2 Compound and organic light emitting device comprising same RNF10, UGT1A10, LAS1L MAPK1 1917/4885TSHR 2721/4885PDE7A 4882/4885
US-20260085067-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF RRM1, RRM2B, RRM2 MAPK1 3269/4885TSHR 76/4885PDE7A 2837/4885
US-12588407-B2 Organic light-emitting element LAS1L, LEF1, ARL1 MAPK1 710/4885TSHR 1995/4885PDE7A 4865/4885

“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.