SCHEMBL24422508

SCHEMBL24422508

CC(C)C(C)n1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.52
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
THPO P40225 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APAF1 O14727 1/20 0.44
DGAT1 O75907 1/20 0.43
GRM2 Q14416 1/20 0.41
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL14149860 1.00 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL14422298 0.92 SLC9A1 (0.55) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL1083846 0.84 ALDH1A1 (0.58) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL9220916 0.84 SLC9A1 (0.55) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL4221863 0.81 SLC9A1 (0.48) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL16488274 0.81 SLC9A1 (0.48) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL1866263 0.81 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL17676626 0.81 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL8208192 0.81 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL12994866 0.81 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1CYP1A2POLB

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-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 SLC9A1 956/4885KEAP1 1979/4885ALDH1A1 2121/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 SLC9A1 4874/4885KEAP1 838/4885ALDH1A1 3658/4885

“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.