SCHEMBL4392476

SCHEMBL4392476

C=CCCC[C@H](CO)C(=O)NOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
REN P00797 1/20 0.38
HDAC3 O15379 4/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
NCOR2 Q9Y618 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
FOLH1 Q04609 1/20 0.36

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
SCHEMBL4392472 1.00 NPC1 (0.43) NPC1RAB9ARENHDAC3HDAC4
SCHEMBL3944730 0.96 NPC1 (0.43) NPC1RAB9ARENHDAC3HDAC4
SCHEMBL7048995 0.84 NPC1 (0.48) NPC1RAB9AHDAC3NCOR2
SCHEMBL7048992 0.84 NPC1 (0.48) NPC1RAB9AHDAC3NCOR2
SCHEMBL13681826 0.83 NPC1 (0.47) NPC1RAB9ACA1CA2CA9
SCHEMBL3859822 0.83 NPC1 (0.47) NPC1RAB9ACA1CA2CA9
SCHEMBL130361 0.82 BIRC2 (0.47) NPC1RAB9A
SCHEMBL131149 0.82 BIRC2 (0.47) NPC1RAB9A
SCHEMBL16898303 0.81 NPC1 (0.50) NPC1RAB9A
SCHEMBL16898305 0.81 NPC1 (0.50) NPC1RAB9A

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
US-20090203631-A1 PEPTIDE DEFORMYLASE INHIBITORS AS NOVEL ANTIBIOTICS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-13 US disclosed
US-7538085-B2 Macrocyclic peptide antibiotics; drug resistant, drug sensitive bacterial infections THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-05-26 US disclosed
US-20070259812-A1 Peptide deformylase inhibitors as novel antibiotics THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2007-11-08 US disclosed
US-7208595-B2 Peptide deformylase inhibitors as novel antibiotics THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-04-24 US disclosed
US-20050026821-A1 Peptide deformylase inhibitors as novel antibiotics NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-02-03 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 (3 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-20090203631-A1 PEPTIDE DEFORMYLASE INHIBITORS AS NOVEL ANTIBIOTICS PDF, PADI3, PADI6 NPC1 3258/4885RAB9A 1699/4885REN 3052/4885
US-20070259812-A1 Peptide deformylase inhibitors as novel antibiotics PDF, PADI3, PADI6 NPC1 3258/4885RAB9A 1699/4885REN 3052/4885
US-20050026821-A1 Peptide deformylase inhibitors as novel antibiotics PDF, PADI3, PADI6 NPC1 3258/4885RAB9A 1699/4885REN 3052/4885

“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.