SCHEMBL4073609

SCHEMBL4073609

Nc1ccccc1/C=N/O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 4/20 0.44
TSHR P16473 3/20 0.44
FGF23 Q9GZV9 1/20 0.44
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX12 P18054 1/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6088736 1.00 HPGD (0.47) HPGDALDH1A1HTTTSHRFGF23
SCHEMBL4073613 1.00 HPGD (0.47) HPGDALDH1A1HTTTSHRFGF23
SCHEMBL9841049 0.82 ALOX12 (0.43) HPGDALDH1A1HTTTSHRFGF23
SCHEMBL9841048 0.82 ALOX12 (0.43) HPGDALDH1A1HTTTSHRFGF23
SCHEMBL6779682 0.82 FGF23 (0.57) HPGDALDH1A1HTTTSHRFGF23
SCHEMBL29213057 0.80 ALOX15 (0.45) ALDH1A1TSHRLMNAL3MBTL1CYP3A4
SCHEMBL866769 0.80 ALOX15 (0.45) ALDH1A1TSHRLMNAL3MBTL1CYP3A4
SCHEMBL866768 0.80 ALOX15 (0.45) ALDH1A1TSHRLMNAL3MBTL1CYP3A4
SCHEMBL21515952 0.76 CYP3A4 (0.41) ALDH1A1HTTTSHRLMNAL3MBTL1
SCHEMBL18965889 0.76 CYP3A4 (0.41) ALDH1A1HTTTSHRLMNAL3MBTL1

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-115141199-B Novel method for synthesizing rutaecarpine 江西师范大学 2023-04-07 CN claimed
CN-115124530-B Preparation method of evodiamine 江西师范大学 2023-04-07 CN claimed
CN-115141199-A Novel method for synthesizing rutaecarpine 江西师范大学 2022-10-04 CN claimed
CN-115124530-A Preparation method of evodiamine 江西师范大学 2022-09-30 CN claimed
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 US claimed
JP-2007501701-A 2007-02-01 JP claimed
EP-1660232-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF Total France (FR) 2006-05-31 EP claimed
WO-2005016518-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL FRANCE (FR) 2005-02-24 WO claimed
CN-115141199-B Novel method for synthesizing rutaecarpine 江西师范大学 2023-04-07 CN disclosed
CN-115141199-B Novel method for synthesizing rutaecarpine 江西师范大学 2023-04-07 CN disclosed
CN-115124530-B Preparation method of evodiamine 江西师范大学 2023-04-07 CN disclosed
CN-115124530-B Preparation method of evodiamine 江西师范大学 2023-04-07 CN disclosed
CN-115141199-A Novel method for synthesizing rutaecarpine 江西师范大学 2022-10-04 CN disclosed
CN-115141199-A Novel method for synthesizing rutaecarpine 江西师范大学 2022-10-04 CN disclosed
US-20100056800-A1 METHOD OF SYNTHESIZING 1H-INDAZOLE COMPOUNDS THE OHIO STATE UNIVERSITY (US) 2010-03-04 US disclosed
US-20100056800-A1 METHOD OF SYNTHESIZING 1H-INDAZOLE COMPOUNDS THE OHIO STATE UNIVERSITY (US) 2010-03-04 US disclosed
EP-1660232-B1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL RAFFINAGE MARKETING (FR) 2009-07-22 EP disclosed
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 US disclosed
EP-1660232-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF Total France (FR) 2006-05-31 EP disclosed
WO-2005016518-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL FRANCE (FR) 2005-02-24 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 (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-20100056800-A1 METHOD OF SYNTHESIZING 1H-INDAZOLE COMPOUNDS CYP2E1, CYP1B1, CYP1A1 HPGD 204/4885ALDH1A1 418/4885HTT 2751/4885

“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.