SCHEMBL3184262

SCHEMBL3184262

C=C(CC(NNC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
PTGS2 P35354 2/20 0.42
PIN1 Q13526 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC3 O15379 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
IDO1 P14902 1/20 0.39
ALOX15 P16050 1/20 0.39
HDAC1 Q13547 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3184835 0.86 GRN (0.49) NPC1RAB9ACTDSP1PTGS2PIN1
SCHEMBL13482964 0.83 NPC1 (0.47) NPC1RAB9ACTDSP1PIN1GAA
SCHEMBL3187487 0.78 POLB (0.49) NPC1RAB9ACTDSP1PTGS2PIN1
SCHEMBL5162493 0.78 ACE (0.56) PIN1CA1
SCHEMBL5162484 0.78 ACE (0.56) PIN1CA1
SCHEMBL25423794 0.76 NPC1 (0.47) NPC1RAB9ACTDSP1PTGS2PIN1
SCHEMBL5924980 0.74 TSHR (0.50) GAAPOLBKDM4EALOX15ALDH1A1
SCHEMBL5135522 0.73 GGH (0.38) PIN1TSHR
SCHEMBL7372269 0.72 TDP1 (0.55) RAB9APTGS2PIN1GAACA1
SCHEMBL7387190 0.72 TDP1 (0.55) RAB9APTGS2PIN1GAACA1

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-7659424-B2 Process for the allylation of n-acylhydrazones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-02-09 US disclosed
US-20070142672-A1 Process for the allylation of n-acylhydrazones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-06-21 US disclosed
EP-1721890-A1 PROCESS FOR THE ALLYLATION OF N-ACYLHYDRAZONES Japan Science and Technology Agency (JP) 2006-11-15 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-20070142672-A1 Process for the allylation of n-acylhydrazones HRH4, NAT1, CBR3 NPC1 1646/4885RAB9A 3485/4885CTDSP1 3332/4885

“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.