SCHEMBL1244152

SCHEMBL1244152

O=Cc1cccn1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
ATM Q13315 1/20 0.48
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADRA1D P25100 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43

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
SCHEMBL18002172 0.91 HDAC8 (0.54) ALDH1A1DRD2DRD4DRD3ATM
SCHEMBL28469757 0.87 ALDH1A1 (0.54) ALDH1A1DRD2DRD4DRD3LMNA
SCHEMBL9400665 0.87 VEGFA (0.56) ALDH1A1DRD2DRD4DRD3KDM4E
SCHEMBL18001993 0.86 MAPK14 (0.52) ALDH1A1HDAC6KDM4ELMNANPSR1
SCHEMBL28469317 0.85 MAPT (0.55) ALDH1A1ATMHDAC8HDAC6KDM4E
SCHEMBL28477450 0.85 ALDH1A1 (0.49) ALDH1A1DRD2DRD4DRD3ATM
SCHEMBL25753482 0.84 ALDH1A1 (0.48) ALDH1A1DRD2DRD4DRD3ATM
SCHEMBL17894526 0.83 KDM4E (0.58) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL1609235 0.81 ALDH1A1 (0.60) ALDH1A1HDAC8HDAC6KDM4ELMNA
SCHEMBL17894535 0.81 ALDH1A1 (0.55) ALDH1A1ATMKDM4ESMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047226-B Matrine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed
CN-108358923-B Sophoridine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed
CN-107033058-A The synthesis technique of azacyclo- high selectivity aldehyde 江苏斯威森生物医药工程研究中心有限公司 2017-08-11 CN claimed
CN-112239468-B Metal-free solvent-free synthesis of fused pyridine heterocycles and biomedical applications thereof 印多尔印度理工学院 2025-05-27 CN disclosed
CN-117486785-A Synthesis method of chiral piperidinol derivative 长兴宜生药物科技有限公司 2024-02-02 CN disclosed
US-11427596-B2 Metal-free solvent-free synthesis of fused-pyrido heterocycles and biomedical applications Indian Institute of Technology Indore (IN) 2022-08-30 US disclosed
CN-113480471-A Multi-chiral nitrogen-substituted piperidinol derivative and preparation method thereof 长兴宜生药物科技有限公司 2021-10-08 CN disclosed
US-20210070765-A1 METAL-FREE SOLVENT-FREE SYNTHESIS OF FUSED-PYRIDO HETEROCYCLES AND BIOMEDICAL APPLICATIONS Indian Institute of Technology Indore (IN) 2021-03-11 US disclosed
WO-2021014463-A1 METAL-FREE SOLVENT-FREE SYNTHESIS OF FUSED-PYRIDO HETEROCYCLES AND BIOMEDICAL APPLICATIONS CHELVAM VENKATESH (IN) 2021-01-28 WO disclosed
CN-112239468-A Metal-free and solvent-free synthesis of fused pyridine heterocycles and biomedical applications thereof 文卡特什·切尔姆 2021-01-19 CN disclosed
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2001016104-A1 CYCLOPROPYLINDOLE DERIVATIVES SPIROGEN LIMITED (GB) 2001-03-08 WO disclosed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 US disclosed
WO-1997049708-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 WO disclosed
EP-0592366-A1 Photochromic compounds, their preparation and their use CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
EP-0077024-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PRODUCTS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1987-08-12 EP disclosed
US-4585771-A Antiinflammatory imidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1986-04-29 US disclosed
US-4466976-A Antiinflammatory and antiallergic imidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1984-08-21 US disclosed
EP-0077024-A2 Imidazole derivatives, process for their preparation and pharmaceutical products containing them SCHERING AKTIENGESELLSCHAFT (DE) 1983-04-20 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 (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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB ALDH1A1 1734/4885DRD2 2272/4885DRD4 1099/4885
US-11427596-B2 Metal-free solvent-free synthesis of fused-pyrido heterocycles and biomedical applications SLC11A2, WEE1, BRCA1 ALDH1A1 2132/4885DRD2 2240/4885DRD4 3649/4885
US-20210070765-A1 METAL-FREE SOLVENT-FREE SYNTHESIS OF FUSED-PYRIDO HETEROCYCLES AND BIOMEDICAL APPLICATIONS SLC11A2, WEE1, BRCA1 ALDH1A1 2132/4885DRD2 2240/4885DRD4 3649/4885

“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.