SCHEMBL445281

SCHEMBL445281

Brc1cccc2cc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.56
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
KEAP1 Q14145 1/20 0.48
PDPK1 O15530 1/20 0.47
NOS1 P29475 1/20 0.47
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
ADK P55263 1/20 0.41
PARP1 P09874 1/20 0.41

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
Cyanide SCHEMBL31107459 0.94 AHR (0.50) AHRCA12CA9KEAP1PDPK1
Acetic Acid SCHEMBL27953390 0.87 KEAP1 (0.56) AHRCA12CA9KEAP1PDPK1
Quinoline SCHEMBL28065888 0.81 ALDH1A1 (0.53) AHRCA12CA9KEAP1PDPK1
SCHEMBL30204480 0.80 NOS1 (0.42) AHRCA12CA9KEAP1PDPK1
Ethoxycarbonyl Group SCHEMBL27778363 0.79 BCHE (0.40) AHRCA12CA9KEAP1PDPK1
SCHEMBL15796869 0.77 PARP1 (0.52) AHRCA12CA9KEAP1PDPK1
SCHEMBL844649 0.77 PIM3 (0.54) AHRCA12CA9KEAP1PDPK1
SCHEMBL31492457 0.75 AHR (0.60) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL3334473 0.73 AHR (0.58) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL15741308 0.71 TNF (0.42) AHRCA12CA9KEAP1PDPK1

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 1049 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109670-A1 METHOD FOR ARYL DEBROMINATION AND ACYLATION OF BROMINATED BENZO-FUSED NITROGEN HETEROCYCLE Shanghai OuChem Bio-Technology Co., LTD (CN) 2026-04-23 US claimed
CN-120131638-A Application of indole compound with electron withdrawing group in inhibiting plasmid conjugation transfer 扬州大学 2025-06-13 CN claimed
EP-4526426-A2 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS Danmarks Tekniske Universitet (DK) 2025-03-26 EP claimed
CN-119059958-A Method for aryl debromination acylation of bromobenzazepine compounds 上海沃凯生物技术有限公司 2024-12-03 CN claimed
CN-118561735-A Compound with anti-glioma activity, preparation method and application thereof 海南大学 2024-08-30 CN claimed
CN-118063373-A 3,3' -Bisindole compound and application and preparation method thereof 云南农业大学 2024-05-24 CN claimed
WO-2023222879-A2 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS DANMARKS TEKNISKE UNIVERSITET (DK) 2023-11-23 WO claimed
CN-114394963-B Isoxazoline compound, preparation method and application 西北农林科技大学 2023-05-23 CN claimed
CN-116063335-A Boron-nitrogen doped polycyclic aromatic hydrocarbon compound and synthesis method thereof 天津理工大学 2023-05-05 CN claimed
CN-114805664-B Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2023-04-14 CN claimed
CN-110643032-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2022-01-28 CN claimed
CN-110372722-B Method for synthesizing sulfur-nitrogen-containing bis-heterocyclic compound 河南师范大学 2020-08-11 CN claimed
CN-111004283-A Preparation method of 3-phosphoryl indole compound 南京理工大学 2020-04-14 CN claimed
CN-110643032-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2020-01-03 CN claimed
CN-106967213-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2019-11-05 CN claimed
CN-107286073-A A kind of preparation method of 7- bromoindole derivatives 湖南华腾制药有限公司 2017-10-24 CN claimed
CN-106967213-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2017-07-21 CN claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
CN-104073045-A Application of halogenated indole and derivatives thereof as marine antifouling agent YANTAI INST COASTAL ZONE RES CAS 2014-10-01 CN claimed
EP-1327632-B1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF MITSUBISHI RAYON CO (JP) 2008-12-03 EP claimed

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-20260109670-A1 METHOD FOR ARYL DEBROMINATION AND ACYLATION OF BROMINATED BENZO-FUSED NITROGEN HETEROCYCLE NAT1, AADAC, NAA15 AHR 33/4885CA12 3232/4885CA9 3156/4885

“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.