SCHEMBL3765733

SCHEMBL3765733

Cc1cccc(C(=O)CSC#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.48
HSP90AA1 P07900 1/20 0.48
PARP1 P09874 1/20 0.47
CTNNB1 P35222 4/20 0.46
WNT3A P56704 4/20 0.46
TDP1 Q9NUW8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
VNN1 O95497 1/20 0.41
KCNK3 O14649 1/20 0.41

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
SCHEMBL19196283 0.91 MAPT (0.51) MAPTALDH1A1HPGDHTTHSP90AA1
SCHEMBL14415181 0.83 MAPT (0.51) MAPTALDH1A1HPGDHTTHSP90AA1
SCHEMBL3765957 0.81 MAPT (0.65) MAPTALDH1A1HTTPARP1TDP1
SCHEMBL3764607 0.81 GSK3B (0.64) MAPTALDH1A1HPGDHTTHSP90AA1
SCHEMBL3760982 0.81 MAPT (0.52) MAPTALDH1A1HPGDHTTHSP90AA1
SCHEMBL3765830 0.81 MAPT (0.52) MAPTALDH1A1HPGDHTTHSP90AA1
SCHEMBL3973753 0.81 ALDH1A1 (0.52) MAPTALDH1A1HPGDHTTHSP90AA1
SCHEMBL11436375 0.80 ALDH1A1 (0.58) MAPTALDH1A1HPGDHTTHSP90AA1
SCHEMBL955563 0.79 ALDH1A1 (0.56) MAPTALDH1A1HPGDHTTHSP90AA1
SCHEMBL11425846 0.78 PARP1 (0.45) ALDH1A1HPGDPARP1TDP1HDAC8

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
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 MAPT 3805/4885ALDH1A1 353/4885HPGD 429/4885

“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.