SCHEMBL3661945

SCHEMBL3661945

Fc1cc(F)c2sc(S)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.36
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
MCL1 Q07820 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30389176 0.76 SMN1; SMN2 (0.47) AKR1B1MEN1ALDH1A1MAPTKMT2A
SCHEMBL1748005 0.76 SMN1; SMN2 (0.47) AKR1B1MEN1ALDH1A1MAPTKMT2A
SCHEMBL1748051 0.76 AKR1B1 (0.37) AKR1B1MEN1ALDH1A1MAPTKMT2A
SCHEMBL25604130 0.76 SMN1; SMN2 (0.42) AKR1B1MEN1ALDH1A1MAPTKMT2A
SCHEMBL20767924 0.74 TXNRD1 (0.36) MEN1ALDH1A1MAPTKMT2ARAB9A
SCHEMBL2139812 0.73 MEN1 (0.57) AKR1B1MEN1ALDH1A1MAPTKMT2A
SCHEMBL2748327 0.72 PSMB8 (0.36) AKR1B1MEN1ALDH1A1MAPTKMT2A
SCHEMBL14327815 0.72 ACACB (0.39) AKR1B1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9201557 0.72 AKR1B1 (0.43) AKR1B1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9323695 0.72 AKR1B1 (0.43) AKR1B1MEN1ALDH1A1MAPTKMT2A

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-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
EP-2234999-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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 (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-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A AKR1B1 387/4885MEN1 2265/4885ALDH1A1 1037/4885

“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.