SCHEMBL14281007

SCHEMBL14281007

CCC(=O)NCc1nc(CCc2ccc(CC(=O)NC(=N)N)s2)cs1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 11/20 0.35
HDAC6 Q9UBN7 11/20 0.35
F2 P00734 1/20 0.34
AOC3 Q16853 2/20 0.33
MAOB P27338 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4882505 0.91 ALDH1A1 (0.39) KDM4ERAB9AHDAC1HDAC6F2
SCHEMBL4888480 0.78 AOC3 (0.53) RAB9AAOC3MAOBKMT2A
SCHEMBL4890448 0.78 AOC3 (0.35) HDAC1HDAC6AOC3MAOBMAPT
SCHEMBL4883619 0.78 AOC3 (0.35) HDAC1HDAC6AOC3MAOBMAPT
SCHEMBL4887311 0.74 MAPT (0.42) KDM4ERAB9AHDAC1HDAC6AOC3
SCHEMBL13024417 0.71 KDM4E (0.55) KDM4ELMNARAB9AHDAC1HDAC6
SCHEMBL12952251 0.69 SLC6A3 (0.34) KDM4ELMNARAB9AHDAC1HDAC6
SCHEMBL4882620 0.68 AOC3 (0.55) RAB9AAOC3MAOBKMT2A
Hydrochloric Acid SCHEMBL4886663 0.67 AOC3 (0.54) RAB9AAOC3MAOBKMT2A
SCHEMBL4889944 0.66 AOC3 (0.48) LMNARAB9AAOC3MAOBKMT2A

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 2 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
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA KDM4E 3463/4885LMNA 2418/4885RAB9A 2176/4885

“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.