SCHEMBL6640316

SCHEMBL6640316

COC(=O)CN1CCSC(c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.49
PRMT5 O14744 3/20 0.42
WDR77 Q9BQA1 3/20 0.42
PDE10A Q9Y233 1/20 0.39
RIPK1 Q13546 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRDT Q58F21 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL6640927 0.85 BRD4 (0.48) BRD4PRMT5WDR77RIPK1HTT
SCHEMBL26986820 0.73 SLC18A3 (0.58) HTTSMN1; SMN2
SCHEMBL27772012 0.73 BRD4 (0.48) BRD4PRMT5WDR77PDE10ARIPK1
SCHEMBL17942843 0.70 SLC6A2 (0.45) HTTKDM4ESMN1; SMN2SLC6A2SLC6A4
SCHEMBL26109889 0.70 BCHE (0.52)
Hydrochloric Acid SCHEMBL17942717 0.69 SLC6A2 (0.44) HTTKDM4ESMN1; SMN2SLC6A2SLC6A4
SCHEMBL20237186 0.69 BRD4 (0.52) BRD4PRMT5WDR77PDE10ARIPK1
SCHEMBL29164917 0.69 BRD4 (0.44) BRD4PRMT5WDR77PDE10ARIPK1
SCHEMBL22545649 0.69 PDE10A (0.45) BRD4PDE10ARIPK1SLC6A2SLC6A4
SCHEMBL22545653 0.69 PDE10A (0.45) BRD4PDE10ARIPK1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 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 (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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 BRD4 3925/4885PRMT5 1671/4885WDR77 1527/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 BRD4 3446/4885PRMT5 1414/4885WDR77 1274/4885

“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.