SCHEMBL29973233

SCHEMBL29973233

O=[N+]([O-])c1ccc(NCC2(Cn3cncn3)COC2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 2/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
AR P10275 6/20 0.35

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
SCHEMBL25784490 1.00 ALDH1A1 (0.45) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL23609119 0.83 PDE3B (0.34) POLBGAAPDE3BPDE3AAR
SCHEMBL30406534 0.83 PDE3B (0.34) POLBGAAPDE3BPDE3AAR
SCHEMBL23579554 0.82 ALDH1A1 (0.50) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL29973231 0.81 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL23609749 0.81 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL23579288 0.80 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL29973226 0.80 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL25784498 0.80 ALDH1A1 (0.54) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL23609120 0.79 CYP3A4 (0.35) ALDH1A1MEN1KMT2ALMNAPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230117592-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-04-20 US disclosed
EP-4081199-A2 LIPOXYGENASE INHIBITORS SRI International (US) 2022-11-02 EP 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 (2 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-20230117592-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX5 ALDH1A1 203/4885POLB 1414/4885MEN1 4539/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 ALDH1A1 133/4885POLB 1410/4885MEN1 4167/4885

“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.