SCHEMBL6479633

SCHEMBL6479633

COC(=O)CC(C[N+](=O)[O-])c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPT P10636 3/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.32
TNF P01375 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2040186 0.87 KDM4E (0.42) CNR1ALDH1A1CYP2C19CHRNB2CHRNB4
SCHEMBL2039432 0.83 CNR1 (0.43) CNR1ALDH1A1CYP2C19LMNAALOX5
SCHEMBL698333 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4MAPTKMT2A
SCHEMBL29921355 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4MAPTKMT2A
SCHEMBL10642651 0.79 ALDH1A1 (0.43) CNR1ALDH1A1CYP2C19LMNACYP3A4
SCHEMBL19190383 0.78 ALDH1A1 (0.50) CNR1ALDH1A1CYP2C19LMNACYP3A4
SCHEMBL10637253 0.78 ALDH1A1 (0.43) ALDH1A1CYP2C19LMNACYP3A4MAPT
SCHEMBL29280419 0.78 ALDH1A1 (0.40) ALDH1A1CYP2C19LMNACYP3A4MAPT
SCHEMBL10640688 0.78 ALDH1A1 (0.47) CNR1ALDH1A1CYP2C19LMNACYP3A4
SCHEMBL9409568 0.77 F2 (0.43) ALDH1A1CYP2C19LMNAMAPTMEN1

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 CNR1 2141/4885ALDH1A1 270/4885CYP2C19 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.