SCHEMBL2212809

SCHEMBL2212809

CC(Sc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
ALDH1A1 P00352 5/20 0.62
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
CSNK2A1 P68400 4/20 0.53
HTT P42858 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
MAOA P21397 4/20 0.52
MAOB P27338 4/20 0.52
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
VCP P55072 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL2214966 0.80 MEN1 (0.69) MAPTALDH1A1MEN1KMT2ACSNK2A1
SCHEMBL12591893 0.76 CSNK2A1 (0.57) MAPTALDH1A1MEN1KMT2ACSNK2A1
SCHEMBL30480033 0.74 CSNK2A1 (0.61) MAPTALDH1A1MEN1KMT2ACSNK2A1
SCHEMBL7093116 0.74 CSNK2A1 (0.61) MAPTALDH1A1MEN1KMT2ACSNK2A1
SCHEMBL10962764 0.73 KMT2A (0.74) MAPTALDH1A1MEN1KMT2ACSNK2A1
SCHEMBL25247614 0.73 CSNK2A1 (0.62) MAPTALDH1A1MEN1KMT2ACSNK2A1
SCHEMBL426369 0.73 MAPT (0.66) MAPTALDH1A1MEN1KMT2ACSNK2A1
SCHEMBL8124240 0.73 MAPT (0.66) MAPTALDH1A1MEN1KMT2ACSNK2A1
SCHEMBL7444589 0.72 CSNK2A1 (0.59) MAPTALDH1A1MEN1KMT2ACSNK2A1
SCHEMBL22352682 0.72 MAOA (0.58) MAPTALDH1A1MEN1KMT2ACSNK2A1

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 MAPT 4797/4885ALDH1A1 521/4885MEN1 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.