SCHEMBL723432

SCHEMBL723432

[CH](c1ccccc1)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 1/20 0.48
HCAR2 Q8TDS4 1/20 0.45
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
G6PC1 P35575 1/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
PLA2G7 Q13093 1/20 0.40
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1B1 Q16678 2/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 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
SCHEMBL28889596 0.87 RAB9A (0.42) SMN1; SMN2RAB9ANPC1HCAR2KMT2A
SCHEMBL559558 0.82 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1HCAR2KMT2A
SCHEMBL6506544 0.80 L3MBTL1 (0.46) SMN1; SMN2RAB9ANPC1HCAR2KMT2A
SCHEMBL28581898 0.80 RAB9A (0.43) SMN1; SMN2RAB9ANPC1HCAR2KMT2A
SCHEMBL723113 0.80 MAPT (0.44) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL2975996 0.79 RAB9A (0.61) SMN1; SMN2RAB9ANPC1HCAR2KMT2A
SCHEMBL12067561 0.79 RAB9A (0.61) SMN1; SMN2RAB9ANPC1HCAR2KMT2A
SCHEMBL2853621 0.79 RAB9A (0.61) SMN1; SMN2RAB9ANPC1HCAR2KMT2A
SCHEMBL7968020 0.76 MAOB (0.58) SMN1; SMN2RAB9ANPC1HCAR2KMT2A
SCHEMBL14960824 0.76 MAOB (0.58) SMN1; SMN2RAB9ANPC1HCAR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164477-A Synthesis method of 1, n-dinitrile compound 华南理工大学 2023-12-05 CN claimed
CN-114585604-A Dicarboxylic acid compound, inorganic particle treated with dicarboxylic acid compound, and composition thereof 3M创新有限公司 2022-06-03 CN claimed
CN-111362933-A α -amino acrylic acid microbicide and preparation method and application thereof 南开大学 2020-07-03 CN claimed
JP-4838934-B2 2011-12-14 JP claimed
EP-2144884-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP claimed
WO-2008118379-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF β-SECRETASE WYETH (US) 2008-10-02 WO claimed
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US claimed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US claimed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 US claimed
EP-1044197-B1 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS ASTELLAS PHARMA GMBH (DE) 2006-04-19 EP claimed
WO-1999031060-A2 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
EP-0923570-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-06-23 EP claimed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP claimed
EP-0873997-A1 Teicoplanin derivatives ELI LILLY AND COMPANY (US) 1998-10-28 EP claimed
WO-1998046579-A1 TEICOPLANIN DERIVATIVES ELI LILLY AND COMPANY (US) 1998-10-22 WO claimed
WO-1997048696-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
WO-1997048397-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
WO-1997048695-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
EP-0078668-A1 Preparation of aminocyclopentanealkenoic acids GLAXO GROUP LIMITED (GB) 1983-05-11 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 (2 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-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 SMN1; SMN2 4576/4885RAB9A 4117/4885NPC1 4437/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 SMN1; SMN2 4583/4885RAB9A 4208/4885NPC1 4190/4885

“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.