SCHEMBL24853045

SCHEMBL24853045

CCOC(=O)CCc1cccc2nn(C)cc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.51
CYP4A11 Q02928 3/20 0.51
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
CDYL Q9Y232 1/20 0.42
TOP2A P11388 2/20 0.41
GSK3B P49841 1/20 0.41
CREBBP Q92793 1/20 0.40
TBXAS1 P24557 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL24852679 0.82 HDAC6 (0.45) ALDH1A1GAAMAPTKDM4EGSK3B
SCHEMBL24853040 0.81 MTNR1A (0.45) KDM4E
SCHEMBL17680609 0.77 USP7 (0.41) ALDH1A1MAPTCREBBPPOLB
SCHEMBL5120016 0.76 CYP4F2 (0.49) CYP4F2CYP4A11LMNAALDH1A1GAA
SCHEMBL69660 0.74 CYP4F2 (0.86) CYP4F2CYP4A11LMNAALDH1A1GAA
SCHEMBL2302173 0.74 CYP4F2 (0.69) CYP4F2CYP4A11LMNAALDH1A1GAA
SCHEMBL21494779 0.73 HTR2A (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7208445 0.73 CYP4F2 (0.60) CYP4F2CYP4A11LMNAALDH1A1GAA
SCHEMBL543484 0.73 ATM (0.40) LMNAALDH1A1GAAMAPTKDM4E
SCHEMBL543543 0.71 NPC1 (0.44) ALDH1A1MAPTKDM4EKMT2A

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-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 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-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN CYP4F2 706/4885CYP4A11 180/4885LMNA 2193/4885

“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.