SCHEMBL26274530

SCHEMBL26274530

CC(=O)Nc1cccc([S+]([O-])c2cccc(C#N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK14 Q16539 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GRM4 Q14833 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL11645941 0.84 LMNA (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30368222 0.84 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2AMAPK14
SCHEMBL171190 0.84 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2AMAPK14
SCHEMBL11643217 0.84 SMN1; SMN2 (0.45) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11645938 0.81 HDAC1 (0.44) ALDH1A1MAPTMEN1KMT2AMAPK14
SCHEMBL11641227 0.81 NPC1 (0.41) ALDH1A1MAPTMEN1KMT2AMAPK14
SCHEMBL11645633 0.81 SMN1; SMN2 (0.45) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10533351 0.79 ALDH1A1 (0.77) ALDH1A1MAPTMEN1KMT2AMAPK14
SCHEMBL24146776 0.76 MAPT (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11642643 0.75 RAB9A (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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-20230295198-A1 VANILLIN-DERIVED FLAME RETARDANT MONOMERS, RESINS, PREPOLYMERS, AND POLYMERS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-09-21 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-20230295198-A1 VANILLIN-DERIVED FLAME RETARDANT MONOMERS, RESINS, PREPOLYMERS, AND POLYMERS PNN, PFAS, POLN ALDH1A1 1057/4885MAPT 2939/4885MEN1 4116/4885

“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.