SCHEMBL3936899

SCHEMBL3936899

O=C(O)CCCc1ncccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
TBXAS1 P24557 9/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2399053 0.94 MAPT (0.52) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL27587862 0.92 MAPT (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL241757 0.86 ALDH1A1 (0.48) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
Fosfonet SCHEMBL8768084 0.86 MEN1 (0.45) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
Hydrochloric Acid SCHEMBL22775406 0.84 ALDH1A1 (0.47) ALDH1A1TBXAS1LMNAFFAR1
SCHEMBL2431568 0.83 SMN1; SMN2 (0.40) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL28715305 0.82 F7 (0.50) ALDH1A1ALOX15MAPTCYP1A2CYP2C19
SCHEMBL23869882 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL28873885 0.81 HDAC3 (0.45) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL18381295 0.79 SMN1; SMN2 (0.56) SMN1; SMN2HDAC3HDAC4HDAC1HDAC2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654035-B1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES UPJOHN CO (US) 1997-08-20 EP claimed
US-5565441-A AN N-HETEROCYCLE DERIVATIVE; ANTIARTHRITIC AGENTS; DISEASES CHARACTERIZED BY ABNORMAL PHOSPHATE AND CALCIUM METABOLISM; CHRONIC DISEASES THE UPJOHN COMPANY (US) 1996-10-15 US claimed
EP-0654035-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES. UPJOHN CO (US) 1995-05-24 EP claimed
WO-1994003463-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES THE UPJOHN COMPANY (US) 1994-02-17 WO claimed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
EP-1646383-A4 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 WO disclosed
EP-1646383-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR Bethesda Pharmaceuticals, Inc. (US) 2006-04-19 EP disclosed
WO-2005009437-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2005-02-03 WO disclosed
WO-2002076177-A2 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
EP-0654035-B1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES UPJOHN CO (US) 1997-08-20 EP disclosed
US-5643895-A Phosphonoacetic esters and acids as anti-inflammatories THE UPJOHN COMPANY (US) 1997-07-01 US disclosed
US-5565441-A AN N-HETEROCYCLE DERIVATIVE; ANTIARTHRITIC AGENTS; DISEASES CHARACTERIZED BY ABNORMAL PHOSPHATE AND CALCIUM METABOLISM; CHRONIC DISEASES THE UPJOHN COMPANY (US) 1996-10-15 US disclosed
EP-0654035-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES. UPJOHN CO (US) 1995-05-24 EP disclosed
WO-1994003463-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES THE UPJOHN COMPANY (US) 1994-02-17 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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 SMN1; SMN2 4422/4885HDAC3 255/4885MAPK1 713/4885

“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.