SCHEMBL29900461

SCHEMBL29900461

O=[N+]([O-])c1ccc(SCc2ccccc2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 3/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 1/20 0.48
GSTP1 P09211 1/20 0.48
GSTM2 P28161 1/20 0.48
PDE7A Q13946 1/20 0.48
CTSB P07858 2/20 0.45
FAAH O00519 2/20 0.44
MGLL Q99685 2/20 0.44

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
SCHEMBL19332390 1.00 MEN1 (0.60) MEN1KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL31011691 0.82 ALDH1A1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL29900515 0.82 ALDH1A1 (0.60) MEN1KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL30876805 0.82 ALDH1A1 (0.64) MEN1KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL6191726 0.82 PDE7A (0.62) MEN1KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL23092512 0.82 ALDH1A1 (0.60) MEN1KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL29900473 0.82 PDE7A (0.62) MEN1KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL8781039 0.82 ALDH1A1 (0.64) MEN1KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL1820581 0.82 ALDH1A1 (0.64) MEN1KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL6197626 0.82 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CYP3A4CYP2C19

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-20250333405-A1 ANTAGONISTS OF GPR39 PROTEIN VASOCARDEA INC (US) 2025-10-30 US disclosed
CN-115038688-A USP30 inhibitors and uses thereof 文森雷生物科学股份有限公司 2022-09-09 CN 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-20250333405-A1 ANTAGONISTS OF GPR39 PROTEIN GPR39, GPR139, GPR119 MEN1 3377/4885KMT2A 4013/4885ALDH1A1 3167/4885

“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.