SCHEMBL6479516

SCHEMBL6479516

COC(=O)CC(C[N+](=O)[O-])c1ccsc1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL6480926 0.83 ALOX5 (0.37) ALDH1A1CYP2C19KMT2AMEN1CYP1A2
SCHEMBL7687237 0.78 CNR1 (0.43) ALDH1A1CYP3A4MAPT
SCHEMBL6492480 0.78 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C19KMT2AMEN1
SCHEMBL6479039 0.76 TAS1R3 (0.40) ALDH1A1CYP2C19KMT2AMEN1KDM4E
SCHEMBL7684336 0.76 ALDH1A1 (0.40) ALDH1A1CYP3A4MAPTRAB9A
SCHEMBL7686449 0.75 CYP2C19 (0.41) ALDH1A1CYP2C19KMT2AMEN1CYP1A2
SCHEMBL10642651 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C19KDM4ELMNA
SCHEMBL6479633 0.75 CNR1 (0.38) ALDH1A1CYP3A4CYP2C19KMT2AMEN1
SCHEMBL6477248 0.75 CYP2C9 (0.45) ALDH1A1CYP3A4CYP2C19KMT2AKDM4E
SCHEMBL6487215 0.75 ALDH1A1 (0.42) ALDH1A1CYP3A4LMNA

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-6861530-B2 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-01 US disclosed
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 US disclosed
US-20020137770-A1 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-26 US disclosed
WO-2001085716-A1 2-PIPERIDONE COMPOUNDS FOR THE TREATMENT OF CANCER KYOWA HAKKO KOGYO CO., LTD (JP) 2001-11-15 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 (1 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-20020137770-A1 Piperidine derivatives CIP2A, PARP2, TP53 ALDH1A1 270/4885CYP3A4 1951/4885CYP2C19 3496/4885

“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.