SCHEMBL19981570

SCHEMBL19981570

CCOC(=O)/C=C/C(=O)Nc1nc2ccccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.69
RAB9A P51151 8/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
MAPK1 P28482 2/20 0.65
FSCN1 Q16658 1/20 0.60
ALDH1A1 P00352 4/20 0.59
HTT P42858 2/20 0.59
KDM4E B2RXH2 2/20 0.59
CYP1A2 P05177 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
STAT1 P42224 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
ADORA1 P30542 1/20 0.56
DYRK1A Q13627 1/20 0.56
MAPT P10636 6/20 0.54
LMNA P02545 2/20 0.54
MDM2 Q00987 1/20 0.54
MEN1 O00255 3/20 0.53

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
SCHEMBL30271559 1.00 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPK1FSCN1
SCHEMBL8689148 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3052451 0.81 DYRK1A (0.62) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3052450 0.81 DYRK1A (0.62) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL19974168 0.80 FSCN1 (0.75) NPC1RAB9ASMN1; SMN2FSCN1ALDH1A1
SCHEMBL19974167 0.80 FSCN1 (0.75) NPC1RAB9ASMN1; SMN2FSCN1ALDH1A1
SCHEMBL11114010 0.80 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL19981509 0.79 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL23647317 0.77 LMNA (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL19981496 0.77 LMNA (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NPC1 3462/4885RAB9A 4035/4885SMN1; SMN2 4284/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 NPC1 3462/4885RAB9A 4035/4885SMN1; SMN2 4284/4885

“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.