SCHEMBL6479508

SCHEMBL6479508

COC(=O)CC(C[N+](=O)[O-])c1ccccc1SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36
GLA P06280 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 2/20 0.35
POLB P06746 2/20 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
SCHEMBL7684336 0.83 ALDH1A1 (0.40) ALDH1A1MAPTRAB9ACYP3A4POLB
SCHEMBL7687237 0.83 CNR1 (0.43) ALDH1A1MAPTNPSR1CYP3A4HPGD
SCHEMBL6477248 0.82 CYP2C9 (0.45) ALDH1A1KMT2AMAPTKDM4EHTT
SCHEMBL121197 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL6489372 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL6492632 0.82 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTHTTNPSR1
SCHEMBL6487215 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL29921355 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTCYP3A4HPGD
SCHEMBL698333 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTCYP3A4HPGD
SCHEMBL7686449 0.80 CYP2C19 (0.41) ALDH1A1L3MBTL1KMT2AMEN1MAPT

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 270/4885L3MBTL1 3244/4885TSHR 3686/4885

“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.