SCHEMBL23093451

SCHEMBL23093451

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
THRB P10828 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
POLB P06746 1/20 0.58
CA2 P00918 2/20 0.57
CA1 P00915 1/20 0.57
DPP4 P27487 1/20 0.57
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
HTT P42858 2/20 0.55
MAPT P10636 1/20 0.55
FFAR4 Q5NUL3 1/20 0.54
NR3C1 P04150 1/20 0.53
HTR6 P50406 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL23093325 0.82 CA2 (0.56) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL18553725 0.81 LMNA (0.69) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL23093329 0.81 LMNA (0.69) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL8423976 0.81 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL7498033 0.80 CA2 (0.83) ALDH1A1LMNASMN1; SMN2CA2CA1
SCHEMBL23093348 0.79 PKLR (0.61) ALDH1A1LMNASMN1; SMN2CA2CA1
SCHEMBL22516003 0.78 ALDH1A1 (0.74) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL23787100 0.77 PKM (0.66) ALDH1A1LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL23093497 0.75 CA2 (0.61) ALDH1A1LMNASMN1; SMN2CA2CA1
SCHEMBL7577204 0.75 CA2 (0.66) ALDH1A1LMNASMN1; SMN2POLBCA2

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-20240059658-A1 QUINOLINE DERIVATIVES AND USES IN MANAGING CANCER UNIV EMORY (US) 2024-02-22 US disclosed
WO-2021050721-A1 QUINOLINE DERIVATIVES AND USES IN MANAGING CANCER EMORY UNIVERSITY (US) 2021-03-18 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-20240059658-A1 QUINOLINE DERIVATIVES AND USES IN MANAGING CANCER MDM2, TP53, RECQL ALDH1A1 1022/4885LMNA 1657/4885SMN1; SMN2 3124/4885

“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.