SCHEMBL23657175

SCHEMBL23657175

CCOC(O)/C=C/C(=O)Nc1nc(CC)c(-c2ccccc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 3/20 0.41
GSTO1 P78417 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
P2RY1 P47900 1/20 0.39
XIAP P98170 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL23657120 0.86 GAA (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL19974430 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL19974431 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL19981496 0.82 LMNA (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL25100407 0.73 CNR1 (0.44) ALDH1A1LMNAGSTO1RAB9AKDM4E
SCHEMBL19981509 0.70 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL2538900 0.70 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL23647317 0.69 LMNA (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL19981501 0.67 LMNA (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL330837 0.67 XIAP (0.43) CYP1A2RAB9ARXFP1XIAPMEN1

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 2 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

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 2641/4885CYP1A2 4682/4885CYP2C9 4815/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 ALDH1A1 2641/4885CYP1A2 4682/4885CYP2C9 4815/4885

“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.