SCHEMBL19974406

SCHEMBL19974406

O=C(O)C=CC(=O)Nc1ccnc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.69
PTPN11 Q06124 1/20 0.69
KDM4E B2RXH2 5/20 0.54
MAPT P10636 4/20 0.54
PKM P14618 1/20 0.54
ATM Q13315 1/20 0.52
ALDH1A1 P00352 6/20 0.51
RECQL P46063 2/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
PDPK1 O15530 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
CHEK2 O96017 1/20 0.51
CDK1 P06493 1/20 0.51
PIM1 P11309 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CDK2 P24941 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51

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
SCHEMBL19974405 1.00 PTPN1 (0.69) PTPN1PTPN11KDM4EMAPTPKM
Hydrochloric Acid SCHEMBL7425060 0.85 PTPN1 (0.64) PTPN1PTPN11KDM4EMAPTALDH1A1
SCHEMBL13134227 0.82 PTPN1 (1.00) PTPN1PTPN11KDM4EALDH1A1PLK4
SCHEMBL7370108 0.81 PTPN1 (0.67) PTPN1PTPN11KDM4EALDH1A1PLK4
SCHEMBL9354254 0.81 KDM4E (0.68) KDM4EMAPTPKMALDH1A1RECQL
SCHEMBL19981586 0.80 LMNA (0.61) PTPN1PTPN11MAPTPKMALDH1A1
SCHEMBL27579461 0.79 PLK4 (0.73) PTPN1PTPN11KDM4EALDH1A1PLK4
SCHEMBL1902196 0.78 PTPN1 (0.67) PTPN1PTPN11KDM4EALDH1A1PLK4
Hydrochloric Acid SCHEMBL7430253 0.78 PTPN1 (0.59) PTPN1PTPN11KDM4EMAPTALDH1A1
SCHEMBL11646431 0.77 LPAR2 (0.71) KDM4EMAPTPKMALDH1A1RECQL

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 PTPN1 4047/4885PTPN11 4069/4885KDM4E 2977/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 PTPN1 4047/4885PTPN11 4069/4885KDM4E 2977/4885

“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.