SCHEMBL2215908

SCHEMBL2215908

O=C(CCc1nc(-c2ccccc2[N+](=O)[O-])no1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 2/20 0.55
SIGMAR1 Q99720 4/20 0.52
MCHR1 Q99705 1/20 0.51
CCR1 P32246 2/20 0.50
CCR3 P51677 2/20 0.50
RAB9A P51151 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.46

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
SCHEMBL2212747 0.88 TSHR (0.60) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL2213531 0.86 SMN1; SMN2 (0.58) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4032891 0.83 SMN1; SMN2 (0.60) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4033845 0.82 SMN1; SMN2 (0.65) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL2214028 0.81 SMN1; SMN2 (0.62) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4031558 0.79 TSHR (0.56) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4032532 0.79 ATM (0.55) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4033978 0.77 HTT (0.59) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4031280 0.76 TSHR (0.58) TSHRSMN1; SMN2HTTATMTDP1
SCHEMBL4031536 0.76 TSHR (0.58) TSHRSMN1; SMN2HTTATMTDP1

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 TSHR 3929/4885SMN1; SMN2 3712/4885HTT 4507/4885

“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.