SCHEMBL25095071

SCHEMBL25095071

O/N=C/c1ccnnc1OO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL25094978 0.77 CCR1 (0.35) ALDH1A1LMNATSHR
SCHEMBL25095032 0.77
SCHEMBL13920959 0.73 L3MBTL1 (0.36) HPGDALDH1A1L3MBTL1HTTTSHR
SCHEMBL25094934 0.66 GAA (0.33) LMNAL3MBTL1
SCHEMBL25094462 0.63 MEN1 (0.33) HPGDALDH1A1
SCHEMBL5463502 0.62 ALDH1A1 (0.48) HPGDALDH1A1LMNAL3MBTL1HTT
SCHEMBL2161121 0.62 ALDH1A1 (0.48) HPGDALDH1A1LMNAL3MBTL1HTT
SCHEMBL2161123 0.62 ALDH1A1 (0.48) HPGDALDH1A1LMNAL3MBTL1HTT
SCHEMBL25094966 0.60
SCHEMBL25094523 0.60

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-20240016152-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2024-01-18 US disclosed
US-20230064576-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 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 (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-20240016152-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX HPGD 3284/4885ALDH1A1 2558/4885LMNA 3276/4885
US-20230064576-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS PNPO, PDXK, BLVRB HPGD 402/4885ALDH1A1 2480/4885LMNA 2743/4885

“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.