SCHEMBL30456380

SCHEMBL30456380

O=c1[nH]c2cc(F)c(F)cc2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.56
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
DAO P14920 1/20 0.50
TLR7 Q9NYK1 4/20 0.49
BRD4 O60885 1/20 0.49
CYP3A4 P08684 1/20 0.49
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.46
KMT2A Q03164 2/20 0.44
CD74 P04233 1/20 0.43
MIF P14174 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL23997304 1.00 PGR (0.56) PGRLMNAHTTALDH1A1KDM4E
SCHEMBL25718657 0.88 PGR (0.51) PGRLMNAHTTALDH1A1KDM4E
SCHEMBL8151558 0.82 HDAC1 (0.50) LMNAHTTALDH1A1KDM4EHPGD
SCHEMBL2762074 0.78 LMNA (0.81) PGRLMNAHTTALDH1A1KDM4E
SCHEMBL6540522 0.77 PGR (0.61) PGRLMNAHTTALDH1A1KDM4E
SCHEMBL24728542 0.77 PGR (0.61) PGRLMNAHTTALDH1A1KDM4E
SCHEMBL7567421 0.77 PGR (0.61) PGRLMNAHTTALDH1A1KDM4E
SCHEMBL6909295 0.77 CYP1A2 (0.65) PGRLMNAALDH1A1SMN1; SMN2DAO
Acetic Acid SCHEMBL11273091 0.77 LMNA (0.60) PGRLMNAHTTALDH1A1KDM4E
SCHEMBL30337318 0.76 PGR (0.60) PGRLMNAHTTALDH1A1KDM4E

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-12454525-B2 IL4I1 inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-10-28 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 PGR 4235/4885LMNA 4017/4885HTT 4501/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 PGR 4235/4885LMNA 4017/4885HTT 4501/4885

“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.