SCHEMBL4934705

SCHEMBL4934705

CN(Cc1ccccc1)C(=O)CCC(N)C(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
KMT2A Q03164 2/20 0.56
LTA4H P09960 1/20 0.48
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.43
RIPK1 Q13546 1/20 0.43
MEN1 O00255 1/20 0.43
CDK4 P11802 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4934691 1.00 NPC1 (0.60) NPC1RAB9AKMT2ALTA4HMMP1
SCHEMBL4928103 0.92 NPC1 (0.57) NPC1RAB9AKMT2ALTA4HMMP1
SCHEMBL5080211 0.86 NPC1 (0.68) NPC1RAB9AKMT2ASMN1; SMN2CA12
SCHEMBL5080215 0.86 NPC1 (0.68) NPC1RAB9AKMT2ASMN1; SMN2CA12
Hydrochloric Acid SCHEMBL23833849 0.85 NPC1 (0.66) NPC1RAB9AKMT2ASMN1; SMN2CA12
SCHEMBL8226894 0.85 NPC1 (0.66) NPC1RAB9AKMT2ALTA4HSMN1; SMN2
SCHEMBL25507617 0.84 NPC1 (0.60) NPC1RAB9AKMT2ALTA4HSMN1; SMN2
Hydrochloric Acid SCHEMBL30420189 0.83 NPC1 (0.59) NPC1RAB9AKMT2ALTA4HSMN1; SMN2
SCHEMBL19573455 0.78 NPC1 (0.74) NPC1RAB9AKMT2ASMN1; SMN2CA12
SCHEMBL19715556 0.77 NPC1 (0.72) NPC1RAB9AKMT2ASMN1; SMN2CA12

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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 NPC1 2718/4885RAB9A 1921/4885KMT2A 249/4885

“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.