SCHEMBL586117

SCHEMBL586117

O=Cc1ccc(OCCCBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 3/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 2/20 0.50
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 1/20 0.44
ALDH1A3 P47895 1/20 0.42
MEN1 O00255 1/20 0.41
STS P08842 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARA Q07869 1/20 0.40

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
SCHEMBL2182381 0.94 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL302512 0.92 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL302663 0.92 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL20211763 0.92 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL2184223 0.92 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL210942 0.90 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8204708 0.87 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL5090074 0.87 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8551794 0.87 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8549614 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111514107-B Active oxygen response type vesicle and preparation method thereof 江南大学 2021-12-21 CN claimed
CN-111514107-A Active oxygen response type vesicle and preparation method thereof 江南大学 2020-08-11 CN claimed
CN-101389631-A Process for the preparation of porphyrin derivatives as antimicrobial agents by photodynamic therapy (PDT) DESTINY PHARMA LTD (GB) 2009-03-18 CN claimed
US-20080281091-A1 Process for the Preparation of Porphyrin Derivatives as Antimicrobial Agents by Photodynamic Therapy (Pdt) BRUNDISH DEREK 2008-11-13 US claimed
EP-1963333-A1 PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) Destiny Pharma Limited (GB) 2008-09-03 EP claimed
WO-2007074340-A1 PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) DESTINY PHARMA LIMITED (GB) 2007-07-05 WO claimed
US-12281119-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as TLR7 agonist BEIGENE, LTD. (KY) 2025-04-22 US disclosed
CN-113454086-B Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2025-03-14 CN disclosed
EP-3921320-B1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE LTD (KY) 2024-03-06 EP disclosed
CN-114507182-B Fluorescent probe for in-situ monitoring magnesium alloy dynamic corrosion process and preparation and application thereof 华南理工大学 2023-09-26 CN disclosed
CN-115433592-A Salt-tolerant high-foam high-internal phase emulsion stabilizer and preparation method thereof 江南大学 2022-12-06 CN disclosed
CN-114507182-A Fluorescent probe for in-situ monitoring of dynamic corrosion process of magnesium alloy and preparation and application thereof 华南理工大学 2022-05-17 CN disclosed
US-20220119394-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEONE MEDICINES I GMBH (CH) 2022-04-21 US disclosed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 US disclosed
US-6028088-A USEFUL AS ANTIPROLIFERATIVE, ANTIINFLAMMATORY AND ANTIINFECTIVE AGENTS; FOR TREATMENT OF CERTAIN ENDOCRINE DISEASES INCLUDING DIABETES, CERTAIN MALIGNANT AND NON-MALIGNANT PROLIFERATIVE DISEASES INCLUDING PROSTATE CANCER THE UNIVERSITY OF MISSISSIPPI (US) 2000-02-22 US disclosed
EP-0958294-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS GYOGYSZERGYAR (HU) 1999-11-24 EP disclosed
CN-1221407-A Aminoisoquinolines and aminothienopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMA PROD (GB) 1999-06-30 CN disclosed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP disclosed
WO-1998030561-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS Gyógyszergyár Rt. (HU) 1998-07-16 WO disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO 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-20220119394-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST TLR7, TLR1, TLR3 ALDH1A1 1611/4885SMN1; SMN2 948/4885MAPT 4191/4885
US-12281119-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as TLR7 agonist TLR7, TLR1, TLR3 ALDH1A1 1611/4885SMN1; SMN2 948/4885MAPT 4191/4885

“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.