SCHEMBL1029928

SCHEMBL1029928

COCCOc1ccccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 2/20 0.56
ADRA2B P18089 1/20 0.56
PTGS1 P23219 1/20 0.56
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
APP P05067 1/20 0.46
KDM4E B2RXH2 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
JAK2 O60674 1/20 0.42
ADRB2 P07550 1/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL29684634 1.00 CYP1A2 (0.66) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL2545268 0.94 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL10584222 0.94 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL16758741 0.94 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL20170926 0.90 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL3066845 0.90 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL29708563 0.89 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL864648 0.89 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
Potassium SCHEMBL30586884 0.87 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL8869388 0.85 ALDH1A1 (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12263159-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2025-04-01 US disclosed
US-20240285597-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2024-08-29 US disclosed
US-11918568-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2024-03-05 US disclosed
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 EP disclosed
US-20230152226-A1 OPTICAL SENSORS LUMIRADX UK LTD (GB) 2023-05-18 US disclosed
EP-3818053-B1 FUSED RING COMPOUND HAVING UREA STRUCTURE SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2023-03-29 EP disclosed
EP-4121744-A1 OPTICAL SENSORS FOR DETECTING THE PRESENCE OR AMOUNT OF A TARGET PRESENT IN A SAMPLE LUMIRADX UK LTD (GB) 2023-01-25 EP disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 US disclosed
US-11289238-B2 Compositions for the filling of high aspect ratio vertical interconnect access (VIA) holes HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2022-03-29 US disclosed
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2021-11-25 US disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed
US-4987258-A Intermediates for disazo dyes HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-22 US disclosed
EP-0196574-B1 4,4'-DIAMINODIPHENYL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-10 EP disclosed
EP-0303360-A1 Electroconductive polymers COOKSON GROUP plc (GB) 1989-02-15 EP disclosed
EP-0242850-A1 Water soluble monoazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-28 EP disclosed
EP-0196574-A2 4,4'-Diaminodiphenyl compounds, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-08 EP disclosed
EP-0063275-A1 Mono-azo dyestuff, its preparation and use CASSELLA Aktiengesellschaft (DE) 1982-10-27 EP 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 (6 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-12263159-B2 Fused ring compound having urea structure NAMPT, NME4, NDUFAB1 CYP1A2 3585/4885CYP2C9 3301/4885CYP2C19 2959/4885
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, ABAT CYP1A2 3649/4885CYP2C9 3475/4885CYP2C19 3099/4885
US-11918568-B2 Fused ring compound having urea structure NAMPT, NME4, ABAT CYP1A2 3649/4885CYP2C9 3475/4885CYP2C19 3099/4885
US-20240285597-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, NDUFAB1 CYP1A2 3585/4885CYP2C9 3301/4885CYP2C19 2959/4885
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 CYP1A2 4718/4885CYP2C9 4564/4885CYP2C19 4430/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CYP1A2 982/4885CYP2C9 1824/4885CYP2C19 1753/4885

“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.