SCHEMBL3753518

SCHEMBL3753518

O=C(Cl)c1sc2cc3c(cc2c1Cl)OCO3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 9/20 0.50
MAPT P10636 8/20 0.50
NPSR1 Q6W5P4 3/20 0.50
RXFP1 Q9HBX9 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
PPP1CA P62136 1/20 0.43
MCL1 Q07820 2/20 0.41
BCL2L1 Q07817 1/20 0.41
BCKDK O14874 2/20 0.40
PRNP P04156 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7866168 0.88 MCL1 (0.55) RAB9ANPC1MAPTNPSR1RXFP1
SCHEMBL13662606 0.88 RAB9A (0.50) RAB9ANPC1MAPTNPSR1RXFP1
SCHEMBL13659599 0.85 MAPT (0.48) RAB9ANPC1MAPTNPSR1RXFP1
SCHEMBL13659648 0.84 NPC1 (0.56) RAB9ANPC1MAPTNPSR1RXFP1
SCHEMBL1254412 0.81 MCL1 (0.51) RAB9ANPC1MAPTNPSR1RXFP1
SCHEMBL13662665 0.78 RAB9A (0.43) RAB9ANPC1MAPTNPSR1RXFP1
SCHEMBL13659602 0.78 MAPT (0.43) RAB9ANPC1MAPTNPSR1RXFP1
SCHEMBL3063440 0.73 BCKDK (0.49) RAB9ANPC1MAPTNPSR1RXFP1
SCHEMBL3747084 0.73 NPC1 (0.38) RAB9ANPC1MAPTNPSR1RXFP1
SCHEMBL6178336 0.73 ALDH1A1 (0.39) RAB9ANPC1MAPTNPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 US disclosed
US-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-20080214576-A1 Topoisomerase Inhibitors and Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2008-09-04 US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1830840-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-16 EP disclosed
US-7329765-B2 Benzothiophene compounds having antiinfective activity GENESOFT PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329765-B2 Benzothiophene compounds having antiinfective activity GENESOFT PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-6302837-B1 ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-10-16 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-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY TOP2A, TOP1, TOP2B RAB9A 4107/4885NPC1 821/4885MAPT 496/4885
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD17B10 RAB9A 2695/4885NPC1 343/4885MAPT 4362/4885
US-20080214576-A1 Topoisomerase Inhibitors and Prodrugs TOP2A, TOP1, TOP2B RAB9A 3152/4885NPC1 1950/4885MAPT 2510/4885

“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.