SCHEMBL2214966

SCHEMBL2214966

O=C(O)CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.69
KMT2A Q03164 7/20 0.69
MAPK1 P28482 3/20 0.69
LMNA P02545 2/20 0.69
MAPT P10636 7/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GRK6 P43250 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CSNK2A1 P68400 4/20 0.54
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
HTT P42858 2/20 0.53
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
VCP P55072 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL2209933 0.85 MAPK1 (0.59) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL18169169 0.81 RAB9A (0.69) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL2211772 0.80 GRK6 (0.56) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL2212809 0.80 MAPT (0.62) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL2211606 0.79 MAPK1 (0.60) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL2213232 0.78 GRK6 (0.56) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL22347171 0.75 ALDH1A1 (0.59) MEN1KMT2AMAPTALDH1A1CSNK2A1
SCHEMBL10962764 0.75 KMT2A (0.74) MEN1KMT2AMAPTALDH1A1CSNK2A1
SCHEMBL25247614 0.74 CSNK2A1 (0.62) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL8124240 0.74 MAPT (0.66) MEN1KMT2AMAPK1MAPTALDH1A1

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
EP-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed
US-7115635-B2 Benzylpiperidine compound MITSUBISHI PHARMA CORPORATION (JP) 2006-10-03 US disclosed
US-20040158071-A1 Chemokine inhibitors and stability in blood MITSUBISHI PHARMA CORPORATION (JP) 2004-08-12 US disclosed
EP-1389616-A1 NOVEL BENZYLPIPERIDINE COMPOUND Mitsubishi Pharma Corporation (JP) 2004-02-18 EP 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-20040158071-A1 Chemokine inhibitors and stability in blood CCL2, CXCR1, CCR5 MEN1 3525/4885KMT2A 3818/4885MAPK1 1005/4885

“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.