SCHEMBL19974157

SCHEMBL19974157

O=C(O)C=CC(=O)Nc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 2/20 0.67
LPAR3 Q9UBY5 1/20 0.67
ALDH1A1 P00352 9/20 0.65
KDM4E B2RXH2 3/20 0.65
MAPT P10636 6/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
TDP2 O95551 1/20 0.65
GAA P10253 1/20 0.65
THRB P10828 1/20 0.65
NMT1 P30419 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 2/20 0.61
LPAR1 Q92633 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 1/20 0.57
NR4A1 P22736 1/20 0.57
RAB9A P51151 2/20 0.55
MDM2 Q00987 1/20 0.55
NPC1 O15118 1/20 0.54

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
SCHEMBL19974155 1.00 LPAR2 (0.67) LPAR2LPAR3ALDH1A1KDM4EMAPT
SCHEMBL11137034 0.86 LPAR2 (0.88) LPAR2LPAR3ALDH1A1KDM4EMAPT
SCHEMBL11133691 0.86 LPAR2 (0.88) LPAR2LPAR3ALDH1A1KDM4EMAPT
SCHEMBL1683255 0.82 ALDH1A1 (0.79) LPAR2LPAR3ALDH1A1KDM4EMAPT
SCHEMBL1169889 0.82 ALDH1A1 (0.79) LPAR2LPAR3ALDH1A1KDM4EMAPT
SCHEMBL2831352 0.82 ALDH1A1 (0.79) LPAR2LPAR3ALDH1A1KDM4EMAPT
SCHEMBL19974537 0.82 ALDH1A1 (0.55) LPAR2LPAR3ALDH1A1KDM4EMAPT
SCHEMBL19974536 0.82 ALDH1A1 (0.55) LPAR2LPAR3ALDH1A1KDM4EMAPT
SCHEMBL14642299 0.81 MEN1 (0.55) ALDH1A1KDM4EMAPTL3MBTL1GAA
SCHEMBL14404748 0.81 MAPT (0.56) ALDH1A1KDM4EMAPTL3MBTL1SMN1; 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 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 LPAR2 4462/4885LPAR3 4397/4885ALDH1A1 2641/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 LPAR2 4462/4885LPAR3 4397/4885ALDH1A1 2641/4885

“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.