SCHEMBL19974187

SCHEMBL19974187

NC(=O)/C=C(/C(N)=O)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
RBBP9 O75884 5/20 0.36
PLA2G4A P47712 1/20 0.35
CASP3 P42574 3/20 0.35
SENP8 Q96LD8 3/20 0.35
SENP7 Q9BQF6 3/20 0.35
SENP6 Q9GZR1 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.34
NOS1 P29475 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.34
CES1 P23141 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLA2G7 Q13093 1/20 0.33
HSPA9 P38646 1/20 0.33

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
SCHEMBL17844700 0.84 ALDH1A1 (0.55) ALDH1A1RBBP9PLA2G4ACASP3SENP8
SCHEMBL3652897 0.76 NPC1 (0.48) ALDH1A1RBBP9PLA2G4ACASP3SENP8
SCHEMBL28029545 0.75 ALDH1A1 (0.57) ALDH1A1RBBP9PLA2G4ACASP3SENP8
SCHEMBL5609781 0.75 ALDH1A1 (0.57) ALDH1A1RBBP9PLA2G4ACASP3SENP8
SCHEMBL158422 0.74
SCHEMBL11768600 0.73 ALDH1A1 (0.50) ALDH1A1RBBP9PLA2G4ACASP3SENP8
Potassium SCHEMBL31461086 0.72
SCHEMBL31461088 0.72
Hydrochloric Acid SCHEMBL5013504 0.72 ALDH1A1 (0.59) ALDH1A1RBBP9PLA2G4ACASP3SENP8
SCHEMBL31461084 0.72

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512602-B1 INHIBITORS OF HEAT SHOCK FACTORS (HSF) AND USES THEREOF HSF PHARMACEUTICALS (CH) 2024-03-27 EP disclosed
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2021-07-22 US disclosed
EP-3512602-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF Pharmaceuticals (CH) 2019-07-24 EP disclosed
WO-2018050656-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF PHARMACEUTICALS (CH) 2018-03-22 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 (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-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 ALDH1A1 2641/4885RBBP9 149/4885PLA2G4A 2415/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 ALDH1A1 2641/4885RBBP9 149/4885PLA2G4A 2415/4885

“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.