SCHEMBL2209933

SCHEMBL2209933

O=C(O)CSc1nc(-c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.59
LMNA P02545 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 7/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TYMP P19971 1/20 0.53
RAB9A P51151 6/20 0.52
NPC1 O15118 3/20 0.50
MAOA P21397 1/20 0.49

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
SCHEMBL2211154 0.85 MEN1 (0.53) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL2214966 0.85 MEN1 (0.69) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL18169169 0.82 RAB9A (0.69) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL3184936 0.81 ALDH1A1 (0.69) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL2212904 0.79 RAB9A (0.55) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL2214514 0.78 RAB9A (0.52) LMNAMEN1KMT2AMAPTTDP1
SCHEMBL2211606 0.78 MAPK1 (0.60) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL11754836 0.77 MAPT (0.54) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL1756267 0.75 MAPT (0.61) LMNAMEN1KMT2AMAPTTDP1
Trifluoroacetic Acid SCHEMBL3176932 0.75 POLB (0.53) MAPK1LMNAMEN1KMT2AMAPT

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 MAPK1 1005/4885LMNA 4837/4885MEN1 3525/4885

“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.