SCHEMBL19974422

SCHEMBL19974422

O=C(O)C=CC(=O)Nc1ccnc(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
LPAR2 Q9HBW0 2/20 0.58
LPAR1 Q92633 1/20 0.58
CNR1 P21554 1/20 0.58
KMT2A Q03164 4/20 0.56
LPAR3 Q9UBY5 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CREBBP Q92793 1/20 0.54
MEN1 O00255 3/20 0.52
PARP1 P09874 2/20 0.52
PARP15 Q460N3 2/20 0.52
PARP14 Q460N5 2/20 0.52
PARP10 Q53GL7 2/20 0.52
THRB P10828 1/20 0.51
PKM P14618 1/20 0.51
AURKA O14965 3/20 0.51
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL23647318 1.00 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL19974536 0.90 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL19974537 0.90 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL23647316 0.89 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL19974429 0.89 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL19974204 0.88 NMT1 (0.60) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL19974201 0.88 NMT1 (0.60) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL19974131 0.83 PKM (0.52) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL19974130 0.83 PKM (0.52) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL19981477 0.82 MAPT (0.57) ALDH1A1MAPTCNR1KMT2AMEN1

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 2641/4885MAPT 2930/4885KDM4E 2977/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 ALDH1A1 2641/4885MAPT 2930/4885KDM4E 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.