SCHEMBL694294

SCHEMBL694294

[c]1cccc(-c2cccs2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2B6 P20813 1/20 0.47
LTA4H P09960 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
KCNH2 Q12809 1/20 0.41
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL8672330 0.98 CYP3A4 (0.46) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL490173 0.80
SCHEMBL1464252 0.77
SCHEMBL126939 0.76 LTA4H (0.52) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL27709556 0.74 CYP3A4 (0.60) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL610112 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL31124 0.72 CYP3A4 (0.58) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL338810 0.71 LTA4H (0.70) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL6003082 0.71
SCHEMBL27176145 0.71 HSD17B1 (0.47) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024146922-A1 C5AR1 INHIBITORS FOR USE IN THE TREATMENT OF OCULAR MUCOUS MEMBRANE PEMPHIGOID AND/OR ORAL MUCOUS MEMBRANE PEMPHIGOID DOMPE' FARMACEUTICI SPA (IT) 2024-07-11 WO claimed
EP-4397306-A1 C5AR1 INHIBITORS FOR USE IN THE TREATMENT OF OCULAR MUCOUS MEMBRANE PEMPHIGOID AND/OR ORAL MUCOUS MEMBRANE PEMPHIGOID Dompe' Farmaceutici S.P.A. (IT) 2024-07-10 EP claimed
US-20240180888-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES DOMPE' FARMACEUTICI SPA (IT) 2024-06-06 US claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-4308114-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES Dompe' Farmaceutici SpA (IT) 2024-01-24 EP claimed
CN-117337176-A C5AR1 inhibitors for treating hypersensitivity to taxanes 东佩制药股份公司 2024-01-02 CN claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
US-20200397725-A1 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN DOMPE' FARMACEUTICI S.P.A. (IT) 2020-12-24 US claimed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US claimed
EP-0989986-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS Abbott Laboratories (US) 2000-04-05 EP claimed
US-6030969-A ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS ABBOTT LABORATORIES (US) 2000-02-29 US claimed
EP-0979230-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-16 EP claimed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 EP claimed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP claimed
CN-1037141-A The alkylamine derivative that replaces BANYU PHARMA CO LTD (JP) 1989-11-15 CN claimed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 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 (5 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-20240180888-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES C5AR1, C5AR2, C3AR1 CYP3A4 1079/4885CYP2C9 1290/4885CYP2E1 2338/4885
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 CYP3A4 1043/4885CYP2C9 1533/4885CYP2E1 1190/4885
US-20200397725-A1 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN C5AR2, C5AR1, C3AR1 CYP3A4 2106/4885CYP2C9 1183/4885CYP2E1 3362/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 CYP3A4 1191/4885CYP2C9 1593/4885CYP2E1 1231/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 CYP3A4 1191/4885CYP2C9 1593/4885CYP2E1 1231/4885

“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.