SCHEMBL4871749

SCHEMBL4871749

Cc1ccnc(NNC(=O)C2(CN(O)C=O)C[C@H](C)C[C@H](C)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
P2RX7 Q99572 1/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPK10 P53779 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK8 P45983 1/20 0.33
GSK3A P49840 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
SCHEMBL4868006 0.85 ALDH1A1 (0.39) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL4863389 0.85 RAB9A (0.39) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL4872952 0.84 ALDH1A1 (0.38) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL4870881 0.82 KDM4E (0.38) ALDH1A1KMT2AKDM4EPOLB
SCHEMBL4864187 0.78 P2RX7 (0.32) P2RX7RAB9ANPC1
SCHEMBL4870915 0.77 GAA (0.38)
SCHEMBL4871769 0.71 ALDH1A1 (0.40) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL1595627 0.71 SMN1; SMN2 (0.39) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL1595625 0.71 SMN1; SMN2 (0.39) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL1595621 0.71 SMN1; SMN2 (0.39) ALDH1A1LMNARAB9ASMN1; SMN2NPC1

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-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 ALDH1A1 4302/4885LMNA 2515/4885P2RX7 3139/4885

“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.