SCHEMBL23997191

SCHEMBL23997191

O=c1[nH]c2cccc(F)c2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
DAO P14920 1/20 0.55
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 3/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
CYP3A4 P08684 1/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
TLR7 Q9NYK1 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
FEN1 P39748 1/20 0.42

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
SCHEMBL31711485 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2DAO
SCHEMBL7740310 0.77 HPGD (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2HTT
SCHEMBL30456380 0.75 PGR (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2DAO
SCHEMBL23997220 0.75 HTR6 (0.58) ALDH1A1KDM4EHPGDSMN1; SMN2DAO
SCHEMBL30345083 0.75 HTR6 (0.58) ALDH1A1KDM4EHPGDSMN1; SMN2DAO
SCHEMBL23997304 0.75 PGR (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2DAO
SCHEMBL2762074 0.75 LMNA (0.81) ALDH1A1KDM4EHPGDSMN1; SMN2DAO
SCHEMBL2956540 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2HTT
SCHEMBL6982894 0.72 HPGD (1.00) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL30877025 0.72 HPGD (1.00) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA

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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 WO 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 ALDH1A1 471/4885KDM4E 1856/4885HPGD 831/4885

“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.