SCHEMBL390751

SCHEMBL390751

O=C(Cl)CCCN(CCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALOX5 P09917 5/20 0.51
HDAC1 Q13547 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL392185 0.95 NPC1 (0.53) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL392904 0.94 MAPT (0.51) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL391716 0.90 KMT2A (0.57) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL5933377 0.84 TDP1 (0.66) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL61491 0.82 HDAC1 (0.69) NPC1RAB9ATDP1ALOX5HDAC1
SCHEMBL23120228 0.81 TDP1 (0.54) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL27538484 0.81 HDAC1 (0.67) NPC1RAB9ATDP1ALOX5HDAC1
SCHEMBL384438 0.81 MAPT (0.68) NPC1RAB9ATDP1ALOX5HDAC1
SCHEMBL3382221 0.80 MAOA (0.55) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL26985835 0.80 TDP1 (0.53) NPC1RAB9ATDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334284-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-18 US disclosed
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-12 US disclosed
US-8101601-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders BAYER HELTHCARE AG 2011-02-10 US 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-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS PLG, AADAC, DNPEP NPC1 4188/4885RAB9A 4606/4885TDP1 619/4885
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS AADAC, AADAT, AASDHPPT NPC1 3514/4885RAB9A 2896/4885TDP1 609/4885
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders PLG, AADAC, DNPEP NPC1 4188/4885RAB9A 4606/4885TDP1 619/4885

“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.