SCHEMBL77658

SCHEMBL77658

O=[N+]([O-])c1ccc(CCBr)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
LOXL2 Q9Y4K0 1/20 0.57
KCNH2 Q12809 5/20 0.56
KCNJ1 P48048 4/20 0.56
HRH3 Q9Y5N1 1/20 0.53
IDO1 P14902 2/20 0.52
ALDH1A1 P00352 1/20 0.50
CYP2C19 P33261 1/20 0.50
GSK3B P49841 1/20 0.50
POLB P06746 1/20 0.50
CYP19A1 P11511 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL1169852 0.88 TSHR (0.60) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL3292782 0.86 TSHR (0.75) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL1312325 0.86 TSHR (0.58) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL4768686 0.85 TSHR (0.49) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL7943874 0.84 KCNH2 (0.59) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL439 0.82 LOXL2 (0.61) TSHRLOXL2KCNH2KCNJ1IDO1
SCHEMBL18913824 0.82 TSHR (0.69) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL30758863 0.82 TSHR (0.69) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL8094543 0.80 POLB (0.68) TSHRLOXL2KCNH2KCNJ1HRH3
SCHEMBL2588477 0.80 TSHR (0.67) TSHRLOXL2KCNH2KCNJ1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791389-A Preparation method of mirabegron intermediate 山东四环药业股份有限公司 2024-10-18 CN claimed
CN-111647001-B Fluorescent probe based on small molecule inhibitor and preparation method and application thereof 中国科学院长春应用化学研究所 2021-11-12 CN claimed
CN-112876474-A Dimethoxy tetrahydroisoquinoline substituted purine derivative, preparation method thereof and application thereof in antitumor drugs 林剑雄 2021-06-01 CN claimed
CN-112724124-A 4-hydroxyquinoline derivatives, preparation method thereof and application thereof in antitumor drugs 林剑雄 2021-04-30 CN claimed
US-5064956-A Process for preparing mono-n-alkylated polyazamacrocycles THE DOW CHEMICAL COMPANY (US) 1991-11-12 US claimed
WO-1990007261-A2 PROCESS FOR PREPARING MONO-N-ALKYLATED POLYAZAMACROCYCLES THE DOW CHEMICAL COMPANY (US) 1990-07-12 WO claimed
EP-0374929-A1 Process for preparing mono-n-alkylated polyazamacrocycles THE DOW CHEMICAL COMPANY (US) 1990-06-27 EP claimed
EP-0239354-A2 2,2-Dinitrophenylethane derivatives and their application as protecting compounds Wendstone Chemicals P.L.C. (GB) 1987-09-30 EP claimed
CN-121779682-A Liquid modified dicyandiamide curing agent, preparation method and application 安庆天赢新材料科技有限公司 2026-04-03 CN disclosed
US-20260014261-A1 TARGETED PROTEIN MODIFICATION WEATHERWAX BIOTECHNOLOGIES CORP (US) 2026-01-15 US disclosed
CN-115066428-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
US-20250186447-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-06-12 US disclosed
WO-2025122555-A1 S1P 1 RECEPTOR AGONISTS AND USES THEREOF VALO HEALTH, INC. (US) 2025-06-12 WO disclosed
CN-119707835-A 2-Aminopyrimidine-5-carboxamide compounds and use thereof for the production of medicaments for the treatment and/or prophylaxis of cancer 沈阳药科大学 2025-03-28 CN disclosed
EP-0089743-A1 Novel 2,5-benzodiazocines and salts thereof having pharmaceutical activity SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1983-09-28 EP disclosed
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-4097669-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 US disclosed
US-3937708-A CNS-DEPRESSANTS, NEUROLEPTICS, ANALGESICS, ANTIPHLOGISTICS, SPASMOLYTICS, BRONCHOLYTICS, HYPOTENSIVES, ANTICHOLESTEREMICS BOEHRINGER INGELHEIM GMBH (DT) 1976-02-10 US disclosed
US-3936462-A CNS DEPRESSANT, ANALGESIC STERLING DRUG INC. (US) 1976-02-03 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 (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-20250186447-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME WEE1, WEE2, NME1 TSHR 3859/4885LOXL2 2320/4885KCNH2 4429/4885
US-20260014261-A1 TARGETED PROTEIN MODIFICATION MDM2, TP53, VHL TSHR 3247/4885LOXL2 1264/4885KCNH2 4819/4885

“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.