SCHEMBL23914090

SCHEMBL23914090

C=C1C(=O)O[C@H](c2cnc3ccccc3c2)[C@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
TOP2A P11388 4/20 0.40
TOP2B Q02880 3/20 0.40
SLC6A4 P31645 1/20 0.39
CYP1A2 P05177 1/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2A6 P11509 1/20 0.36
KDR P35968 1/20 0.36
NQO1 P15559 1/20 0.34
CFTR P13569 1/20 0.34

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
SCHEMBL30528429 0.80 SLC6A2 (0.40) SLC6A4ALDH1A1
SCHEMBL23914304 0.80 SLC6A2 (0.40) SLC6A4ALDH1A1
SCHEMBL23914072 0.80 SLC6A2 (0.40) SLC6A4ALDH1A1
SCHEMBL23913939 0.80 SLC6A2 (0.40) SLC6A4ALDH1A1
SCHEMBL23913983 0.78 SMN1; SMN2 (0.39) CYP1A2MAOBALDH1A1RAB9A
SCHEMBL14427618 0.78 SMN1; SMN2 (0.39) CYP1A2MAOBALDH1A1RAB9A
SCHEMBL5442142 0.78 SMN1; SMN2 (0.39) CYP1A2MAOBALDH1A1RAB9A
SCHEMBL23914452 0.78 SMN1; SMN2 (0.39) CYP1A2MAOBALDH1A1RAB9A
SCHEMBL23914451 0.78 SMN1; SMN2 (0.39) CYP1A2MAOBALDH1A1RAB9A
SCHEMBL23913984 0.78 SMN1; SMN2 (0.39) CYP1A2MAOBALDH1A1RAB9A

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 MGAM 3/4885TOP2A 723/4885TOP2B 2098/4885

“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.