SCHEMBL30948271

SCHEMBL30948271

O=c1c(=O)n(C23CC(F)(C2)C3)ccn1Cc1ccc(-c2ccccn2)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HTT P42858 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IL4I1 Q96RQ9 2/20 0.36
MAPT P10636 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL30948281 0.86 IL4I1 (0.47) RAB9AKDM4EHTTNPC1SMN1; SMN2
SCHEMBL30948202 0.85 IL4I1 (0.40) KDM4ESMN1; SMN2LMNAIL4I1MAPT
SCHEMBL30948222 0.83 IL4I1 (0.45) LMNAIL4I1CYP11B1CYP11B2POLB
SCHEMBL30948180 0.83 KDM4E (0.38) RAB9AKDM4EHTTNPC1SMN1; SMN2
SCHEMBL30948210 0.83 RAB9A (0.39) RAB9AKDM4EHTTNPC1SMN1; SMN2
SCHEMBL30948072 0.82 IL4I1 (0.39) RAB9ANPC1SMN1; SMN2PKMIL4I1
SCHEMBL30948040 0.82 IL4I1 (0.43) RAB9AIL4I1
SCHEMBL30948054 0.82 IL4I1 (0.52) RAB9ANPC1ALDH1A1PKMIL4I1
SCHEMBL30948387 0.80 RAB9A (0.37) RAB9AKDM4EHTTNPC1SMN1; SMN2
SCHEMBL30948297 0.80 CA12 (0.45) HTTSMN1; SMN2IL4I1MAPTCYP11B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 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 (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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 RAB9A 3769/4885KDM4E 1134/4885HTT 3798/4885

“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.