SCHEMBL113519

SCHEMBL113519

Cc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
TSHR P16473 5/20 0.67
TDP1 Q9NUW8 3/20 0.67
CYP3A4 P08684 4/20 0.62
ACHE P22303 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PDE2A O00408 1/20 0.50
PDE5A O76074 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
PDE4A P27815 1/20 0.50
BLM P54132 1/20 0.50
PDE1B Q01064 1/20 0.50
PMP22 Q01453 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE7A Q13946 1/20 0.50
PDE1C Q14123 1/20 0.50
PDE7B Q9NP56 1/20 0.50

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
SCHEMBL29874193 1.00 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL8508219 0.85 ALDH1A1 (0.54) ALDH1A1TSHRTDP1CYP3A4ALOX15
SCHEMBL6626692 0.84 PTGS2 (0.51) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL85170 0.83 ALDH1A1 (0.68) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL30648640 0.83 ALDH1A1 (0.68) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL30317899 0.80 PTPRC (0.54) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL3277269 0.80 PTPRC (0.54) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL29511002 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL384312 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL11050883 0.78 PTPRC (0.57) ALDH1A1TSHRTDP1CYP3A4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850258-B Synthesis method of masitinib 东北林业大学 2024-09-24 CN claimed
CN-115850258-A Synthesis method of masitinib 东北林业大学 2023-03-28 CN claimed
CN-113278304-B Double-ratio type hemicyanine dye molecule, and synthesis method and application thereof 广西师范大学 2022-05-24 CN claimed
CN-113278304-A Double-ratio type hemicyanine dye molecule, and synthesis method and application thereof 广西师范大学 2021-08-20 CN claimed
CN-105503493-A Synthesis method for flavonoid compound drug intermediate 1,1-diphenyl-1-propylene CHENGDU QIANYE LONGHUA PETROLEUM ENG TECH CONSULTING CO LTD 2016-04-20 CN claimed
EP-0396943-B1 Optical storage medium and storage process NIPPON TELEGRAPH & TELEPHONE (JP) 1995-07-05 EP claimed
US-5124944-A OPTICAL STORAGE MEDIUM AND STORAGE PROCESS NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1992-06-23 US claimed
EP-0396943-A2 Optical storage medium and storage process NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1990-11-14 EP claimed
US-4734532-A HIGH SPEED OXIDATIVE DIMERIZATION OF 4-NITROTOLUENE BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US claimed
EP-4105213-B1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND THERAPEUTIC PHARMACEUTIC COMPOSITION COMPRISING SAME PHAROS IBIO CO LTD (KR) 2026-04-15 EP disclosed
US-20260070903-A1 NOVEL PYRIDO[3,4-D]PYRIMIDIN-8-ONE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING CANCER, COMPRISING SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-12 US disclosed
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-12398142-B2 Abelson non-tyrosine kinase compounds for the treatment of neurodegenerative diseases EMORY UNIVERSITY (US) 2025-08-26 US disclosed
CN-119585242-A RAF kinase inhibitors and methods of use thereof 德西费拉制药有限责任公司 2025-03-07 CN disclosed
EP-0078768-A1 Process for the catalytic Pd arylation of olefines with aryl halogenides CIBA-GEIGY AG (CH) 1983-05-11 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-4212824-A PLATINUM, IRON OXIDE OR HYDROXIDE ON CARBON BLACK E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-15 US disclosed
US-4126626-A DYES, POLYESTERS CIBA-GEIGY CORPORATION (US) 1978-11-21 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 (3 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 ALDH1A1 4598/4885TSHR 2404/4885TDP1 2393/4885
US-12398142-B2 Abelson non-tyrosine kinase compounds for the treatment of neurodegenerative diseases ABL2, ABL1, FYN ALDH1A1 3669/4885TSHR 3907/4885TDP1 647/4885
US-20260070903-A1 NOVEL PYRIDO[3,4-D]PYRIMIDIN-8-ONE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING CANCER, COMPRISING SAME CCNC, CKS1B, CKS2 ALDH1A1 2140/4885TSHR 3614/4885TDP1 3753/4885

“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.