SCHEMBL23997233

SCHEMBL23997233

CCc1ccc2c(c1)C(=O)NC2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
BRD4 O60885 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MKNK2 Q9HBH9 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
IGF1R P08069 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
DAO P14920 1/20 0.34

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
SCHEMBL8170747 0.87 CNR1 (0.43) SMN1; SMN2MKNK2HTR2AHTR2CHTR2B
SCHEMBL8157312 0.87 CNR1 (0.43) SMN1; SMN2MKNK2HTR2AHTR2CHTR2B
SCHEMBL25914560 0.86 MKNK2 (0.44) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL12241449 0.77 KDM4E (0.44) ALDH1A1MAPTNPC1KMT2AMKNK2
SCHEMBL12241460 0.77 KDM4E (0.44) ALDH1A1MAPTNPC1KMT2AMKNK2
SCHEMBL12240953 0.77 KDM4E (0.44) ALDH1A1MAPTNPC1KMT2AMKNK2
SCHEMBL13488124 0.76 MKNK2 (0.33) ALDH1A1NPC1BRD4KMT2AMKNK2
SCHEMBL12240951 0.76 MKNK2 (0.33) ALDH1A1NPC1BRD4KMT2AMKNK2
SCHEMBL18878104 0.75 ACHE (0.42) MKNK2HTR2CMKNK1PARP1
SCHEMBL12219994 0.75 MKNK2 (0.40) ALDH1A1SMN1; SMN2NPC1LMNAMAPK1

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 471/4885MAPT 3407/4885SMN1; SMN2 3247/4885

“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.