SCHEMBL19974322

SCHEMBL19974322

O=C(O)/C=C/C(=O)Nc1nncs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TAAR1 Q96RJ0 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.44

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
SCHEMBL19974323 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL6380999 0.80 RAB9A (0.70) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL6424749 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL9931375 0.78 POLB (0.52) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL19981479 0.77 LMNA (0.64) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL2116133 0.75 FFAR2 (0.49) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL12467531 0.74 TAAR1 (0.57) SMN1; SMN2KDM4ELMNATAAR1ALDH1A1
SCHEMBL564354 0.74
SCHEMBL19974151 0.72 RAB9A (0.66) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL32690316 0.72 RAB9A (0.66) NPC1RAB9ASMN1; SMN2KDM4ELMNA

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 4 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
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 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.