SCHEMBL23914099

SCHEMBL23914099

C=C1C(=O)O[C@H](c2ccnc3ccccc23)[C@@H]1c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTK2B Q14289 1/20 0.41
ACVR1 Q04771 3/20 0.35
SLC6A2 P23975 3/20 0.35
CCR8 P51685 3/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
BRCA1 P38398 1/20 0.32

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 0.85 TP53 (0.47) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23913807 0.85 TP53 (0.47) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23914303 0.83 ALDH1A1 (0.40) MAPTSMN1; SMN2NPC1RAB9ASLC6A2
SCHEMBL23914302 0.83 ALDH1A1 (0.40) MAPTSMN1; SMN2NPC1RAB9ASLC6A2
SCHEMBL23914308 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4KDM4E
SCHEMBL23914306 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4KDM4E
SCHEMBL23914398 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4KDM4E
SCHEMBL23914288 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4KDM4E
SCHEMBL23914100 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4KDM4E
SCHEMBL23914072 0.73 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4KDM4E

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.