SCHEMBL23913807

SCHEMBL23913807

C=C1C(=O)O[C@H](c2ccnc3ccccc23)[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PTK2B Q14289 2/20 0.47
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
NCF1 P14598 1/20 0.35
LOXL2 Q9Y4K0 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
SCHEMBL23913975 1.00 TP53 (0.47) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23914395 0.85 HCAR2 (0.35) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23914099 0.85 TP53 (0.41) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30528399 0.77 ALDH1A1 (0.47) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23913983 0.74 SMN1; SMN2 (0.39) TP53MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL14427618 0.74 SMN1; SMN2 (0.39) TP53MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL5442142 0.74 SMN1; SMN2 (0.39) TP53MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL23914451 0.74 SMN1; SMN2 (0.39) TP53MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL23913984 0.74 SMN1; SMN2 (0.39) TP53MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL23914452 0.74 SMN1; SMN2 (0.39) TP53MAPTSMN1; SMN2RAB9AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2021-10-14 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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS MIF, LTA, MGAM TP53 3521/4885MAPT 3922/4885SMN1; SMN2 2299/4885

“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.