SCHEMBL23093409

SCHEMBL23093409

Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
LMNA P02545 3/20 0.62
MAPT P10636 3/20 0.62
CA2 P00918 3/20 0.61
CA1 P00915 2/20 0.61
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
MEN1 O00255 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 1/20 0.59
CYTH2 Q99418 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.54
PKM P14618 2/20 0.54
PKLR P30613 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL23093470 0.91 PKM (0.62) ALDH1A1MAPTCA2CA1CA12
SCHEMBL7498033 0.84 CA2 (0.83) ALDH1A1LMNAMAPTCA2CA1
SCHEMBL6577363 0.83 CA2 (0.71) ALDH1A1LMNAMAPTCA2CA1
SCHEMBL2243826 0.83 CA2 (0.71) ALDH1A1LMNAMAPTCA2CA1
SCHEMBL27095225 0.81 CA2 (0.61) ALDH1A1LMNAMAPTCA2CA1
SCHEMBL7580299 0.81 ALDH1A1 (0.68) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL9208267 0.80 CA2 (0.71) ALDH1A1LMNAMAPTCA2CA1
SCHEMBL7176003 0.80 GAA (0.64) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL23093485 0.80 ALDH1A1 (0.62) ALDH1A1LMNAMAPTCA2CA1
SCHEMBL1251538 0.79 FFAR4 (0.66) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2

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 1657/4885MAPT 2307/4885

“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.