SCHEMBL4886728

SCHEMBL4886728

CC(=O)Nc1nc(CCc2ccc(CN3C(=O)c4ccccc4C3=O)s2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 1/20 0.51
AOC3 Q16853 9/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 2/20 0.45
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL4887640 0.90 POLB (0.55) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL12947691 0.82 AOC3 (0.60) KMT2AAOC3SMN1; SMN2NPC1RAB9A
SCHEMBL3932123 0.81 AOC3 (0.59) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL974654 0.81 AOC3 (0.58) POLBKMT2AAOC3SMN1; SMN2NPC1
SCHEMBL3939486 0.81 AOC3 (0.63) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL971613 0.80 AOC3 (0.60) KMT2AAOC3SMN1; SMN2NPC1RAB9A
SCHEMBL3933958 0.79 AOC3 (0.60) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL972138 0.79 AOC3 (0.65) KMT2AAOC3SMN1; SMN2NPC1RAB9A
SCHEMBL972905 0.79 SMN1; SMN2 (0.66) ALDH1A1KMT2AAOC3SMN1; SMN2NPC1
SCHEMBL974214 0.79 AOC3 (0.73) KMT2AAOC3SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 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 (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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA POLB 2004/4885ALDH1A1 1877/4885KMT2A 4199/4885

“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.