SCHEMBL2596089

SCHEMBL2596089

Brc1cc2ccccc2nc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
GLA P06280 2/20 0.56
MAPT P10636 2/20 0.56
ACHE P22303 1/20 0.56
NQO2 P16083 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
HTR3A P46098 1/20 0.42
STAT3 P40763 1/20 0.42
PDE2A O00408 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PTBP1 P26599 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
SCHEMBL30511098 1.00 TDP1 (0.63) TDP1ALDH1A1HPGDGLAMAPT
SCHEMBL4868283 0.88 TDP1 (0.52) TDP1ALDH1A1HPGDGLAMAPT
SCHEMBL31413219 0.77 ALDH1A1 (0.52) TDP1ALDH1A1HPGDGLAMAPT
SCHEMBL16535036 0.77 TDP1 (0.59) TDP1ALDH1A1HPGDGLAMAPT
SCHEMBL30917310 0.77 KMT2A (0.55) TDP1ALDH1A1HPGDGLAMAPT
SCHEMBL4161475 0.77 TDP1 (1.00) TDP1ALDH1A1HPGDGLAMAPT
SCHEMBL358560 0.77 TDP1 (0.59) TDP1ALDH1A1HPGDGLAMAPT
SCHEMBL1981418 0.77 TLR8 (0.53) TDP1ALDH1A1HPGDGLAMAPT
SCHEMBL8400543 0.77 ALDH1A1 (0.52) TDP1ALDH1A1HPGDGLAMAPT
SCHEMBL6849143 0.77 ALDH1A1 (0.59) TDP1ALDH1A1HPGDGLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114099-B1 LOW-TOXICITY SMOKE PYROTECHNIC COMPOSITIONS FOR WIDE BAND MASKING ETIENNE LACROIX TOUS ARTIFICES S A (FR) 2021-05-26 EP claimed
CN-110041905-B Fluorescent and phosphorescent dual luminescent material with switching effect and preparation method thereof 华中科技大学 2020-05-19 CN claimed
CN-103923102-B Synthesis method of compound 5, 8-di (3, 4-ethylenedioxy-thienyl) -quinoline 南京工业大学 2017-04-05 CN claimed
EP-3114099-A1 LOW-TOXICITY SMOKE PYROTECHNIC COMPOSITIONS FOR WIDE BAND MASKING ETIENNE LACROIX TOUS ARTIFICES S.A. (FR) 2017-01-11 EP claimed
WO-2015132266-A1 LOW-TOXICITY SMOKE PYROTECHNIC COMPOSITIONS FOR WIDE BAND MASKING ETIENNE LACROIX TOUS ARTIFICES S.A. (FR) 2015-09-11 WO claimed
CN-103923102-A Synthesis method of compound 5, 8-di (3, 4-ethylenedioxy-thienyl) -quinoline NANJING UNIVERSITY OF TECHNOLOGY 2014-07-16 CN claimed
US-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
EP-4511116-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
EP-4511115-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20250002779-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2025-01-02 US disclosed
EP-3737657-B1 USE OF A HALOGENATED SALT OF TETRAPHENYLPHOSPHONIUM AS A SMOKE-PRODUCING AGENT AND SMOKE-PRODUCING PYROTECHNIC COMPOSITION INCORPORATING SUCH MATERIAL MECAR SA (BE) 2024-02-07 EP disclosed
US-20240002345-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2024-01-04 US disclosed
CN-1777628-A Polyquinoline copolymer and organic electroluminescent device using same HITACHI CHEMICAL CO LTD (JP) 2006-05-24 CN disclosed
WO-2005049546-A1 HALOGENATED BISDIARYLAMINOPOLYCYLIC AROMATIC COMPOUNDS AND POLYMERS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-06-02 WO disclosed
US-20050075478-A1 Method for producing polymerized hydrocarbon JFE CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
EP-1520846-A1 Method for producing polymerized hydrocarbon JFE Chemical Corporation (JP) 2005-04-06 EP disclosed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 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 (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-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN8A, SCN1B, SCN3A TDP1 2797/4885ALDH1A1 2279/4885HPGD 2534/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 TDP1 3607/4885ALDH1A1 1762/4885HPGD 546/4885
US-20240002345-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER CYP1B1, CYP4F11, NOTUM TDP1 1390/4885ALDH1A1 80/4885HPGD 576/4885

“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.