SCHEMBL3176530

SCHEMBL3176530

CC(C)(C)OC(=O)N/C(=C/c1cc(Br)ccc1F)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.41
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
USP30 Q70CQ3 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CTSB P07858 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL3176523 1.00 AAK1 (0.41) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL3176533 1.00 AAK1 (0.41) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL16064132 0.89 AAK1 (0.40) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL1851365 0.89 AAK1 (0.40) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL18833343 0.84 KDM4E (0.36) NPC1RAB9AKDM4EMAPT
SCHEMBL1856612 0.84 LMNA (0.40) AAK1KMT2AMEN1LMNACTSS
SCHEMBL12667355 0.82 AAK1 (0.38) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL17483621 0.80 AAK1 (0.43) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL18833346 0.79 MTNR1A (0.41) AAK1RAB9AKMT2AMEN1LMNA
SCHEMBL18833347 0.79 MTNR1A (0.41) AAK1RAB9AKMT2AMEN1LMNA

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-7655643-B2 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2010-02-02 US disclosed
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2007-05-03 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 (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-20070099885-A1 Antibacterial macrocycles with substituted biphenyl NOD2, AHR, BCL2 AAK1 4116/4885NPC1 851/4885RECQL 510/4885

“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.