SCHEMBL21875233

SCHEMBL21875233

Cc1ccc2sc3c(NCCCNCCO)nc4ccccc4c3c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 2/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37
CASP7 P55210 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CYP2C19 P33261 1/20 0.36
RAD52 P43351 3/20 0.36
KMT2A Q03164 3/20 0.36
SLC2A1 P11166 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL30089856 1.00 PGK1 (0.39) PGK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21450911 0.89 APP (0.44) KDM4EALDH1A1RAB9ARAD52KMT2A
SCHEMBL30089857 0.89 APP (0.44) KDM4EALDH1A1RAB9ARAD52KMT2A
SCHEMBL30089847 0.89 HDAC3 (0.36) KDM4EALDH1A1MAPK1HDAC3HDAC1
SCHEMBL21451069 0.89 HDAC3 (0.36) KDM4EALDH1A1MAPK1HDAC3HDAC1
SCHEMBL16339076 0.89 TOP1 (0.43) KDM4EALDH1A1HSD17B10MAPK1HDAC3
SCHEMBL21450924 0.87 SYK (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30089849 0.87 SYK (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21450928 0.86 KCNH2 (0.36) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL21450925 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDHDAC1POLB

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
CN-110945001-B FMS-like tyrosine kinase inhibitors 硕英生医股份有限公司 2022-11-25 CN claimed
US-11332476-B2 Fms-like tyrosine kinase inhibitors 3SM BIOTRON INC. (TW) 2022-05-17 US disclosed
US-11332476-B2 Fms-like tyrosine kinase inhibitors 3SM BIOTRON INC. (TW) 2022-05-17 US disclosed
US-20200131194-A1 FMS-LIKE TYROSINE KINASE INHIBITORS Sagabio Co., Ltd. (TW) 2020-04-30 US disclosed
US-20200131194-A1 FMS-LIKE TYROSINE KINASE INHIBITORS Sagabio Co., Ltd. (TW) 2020-04-30 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-11332476-B2 Fms-like tyrosine kinase inhibitors FLT3, FLT4, FLT1 PGK1 1355/4885KDM4E 1341/4885ALDH1A1 3008/4885
US-20200131194-A1 FMS-LIKE TYROSINE KINASE INHIBITORS FLT3, FLT4, FLT1 PGK1 1355/4885KDM4E 1341/4885ALDH1A1 3008/4885

“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.