SCHEMBL5657514

SCHEMBL5657514

CCCCn1ccnc1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
TLR8 Q9NR97 2/20 0.50
LMNA P02545 4/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADORA2A P29274 3/20 0.34
MEN1 O00255 1/20 0.34
PDE4A P27815 1/20 0.33

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
SCHEMBL5655364 0.95 TLR8 (0.57) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL27968081 0.93 TLR8 (0.56) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL11669837 0.93 TLR8 (0.56) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL9535005 0.93 TLR8 (0.56) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL27968084 0.93 TLR8 (0.56) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL27968082 0.93 TLR8 (0.56) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL28813838 0.93 TLR8 (0.56) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL1206348 0.89 ALDH1A1 (0.43) ALDH1A1KMT2APOLBTLR8SMN1; SMN2
SCHEMBL15332214 0.84 KMT2A (0.38) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL16655334 0.83 ALDH1A1 (0.39) ALDH1A1KMT2APOLBTLR8CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109692674-B Chiral MOC liquid chromatographic separation column for resolving racemic compound 云南师范大学 2021-12-03 CN claimed
CN-121748449-B Imidazole high-temperature proton exchange membrane with twisted structure and preparation method thereof 东北大学 2026-04-28 CN disclosed
CN-121748449-A Imidazole high-temperature proton exchange membrane with twisted structure and preparation method thereof 东北大学 2026-03-27 CN disclosed
CN-116178362-B Aggregation-induced emission material based on benzothiazole hydrazone, and preparation method and application thereof 河南农业大学 2025-03-04 CN disclosed
CN-117285516-A Dehydrogenated phenyl achyranthis statin compound, preparation method and application thereof 大连万众益生大健康有限公司 2023-12-26 CN disclosed
CN-116178362-A Aggregation-induced emission material based on benzothiazole hydrazone, and preparation method and application thereof 河南农业大学 2023-05-30 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-109692674-B Chiral MOC liquid chromatographic separation column for resolving racemic compound 云南师范大学 2021-12-03 CN disclosed
CN-109692674-B Chiral MOC liquid chromatographic separation column for resolving racemic compound 云南师范大学 2021-12-03 CN disclosed
CN-107250128-B Cyclic amine derivatives and its medical usage 东丽株式会社 2019-07-26 CN disclosed
EP-2725024-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-04-30 EP disclosed
EP-2725024-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-04-30 EP disclosed
WO-2013000108-A1 AZOLE HETEROCYLIC COMPOUNDS, PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国科学院上海药物研究所 (CN) 2013-01-03 WO disclosed
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
WO-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed
US-5604224-A NEURODEGENERATIVE DISORDERS STERLING WINTHROP INC. (US) 1997-02-18 US disclosed
US-5569655-A Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof STERLING WINTHROP INC. (US) 1996-10-29 US disclosed
EP-0647641-A1 Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof STERLING WINTHROP INC. (US) 1995-04-12 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 (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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 ALDH1A1 519/4885KMT2A 391/4885POLB 3578/4885

“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.