SCHEMBL24616680

SCHEMBL24616680

O=C(OI)c1cn(C2CC2)c2ccc(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.47
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 3/20 0.43
TOP2A P11388 3/20 0.43
TOP2B Q02880 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL29766728 0.85 LMNA (0.50) HTR3AKDM4EALDH1A1LMNAHPGD
SCHEMBL2744582 0.85 KDM4E (0.59) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL29766836 0.85 KDM4E (0.59) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL28458144 0.84 KDM4E (0.57) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL22506561 0.84 HTR3A (0.47) HTR3AKDM4EALDH1A1TOP2ATOP2B
Hydrochloric Acid SCHEMBL6004997 0.84 KDM4E (0.57) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL29518174 0.84 MEN1 (0.60) HTR3AKDM4EALDH1A1TOP2ATOP2B
SCHEMBL22497601 0.83 HTR3A (0.46) HTR3AKDM4EALDH1A1TOP2ATOP2B
Potassium Ion SCHEMBL22497604 0.82 KDM4E (0.44) HTR3AKDM4EALDH1A1TOP2ATOP2B
SCHEMBL22506761 0.82 HTR3A (0.43) HTR3AKDM4EALDH1A1TOP2ATOP2B

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-20220220076-A1 QUINOLINE CARBOXYLATE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANDONG UNITED PESTICIDE INDUSTRY CO., LTD. (CN) 2022-07-14 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-20220220076-A1 QUINOLINE CARBOXYLATE COMPOUND AND PREPARATION METHOD AND USE THEREOF SDHA, GLUL, PGLS HTR3A 4114/4885KDM4E 1227/4885ALDH1A1 632/4885

“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.