SCHEMBL2214514

SCHEMBL2214514

N#Cc1ccc(-c2csc(SCC(=O)O)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.46
STK17B O94768 1/20 0.46
MAP3K8 P41279 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
VCP P55072 1/20 0.44

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
SCHEMBL2213232 0.85 GRK6 (0.56) RAB9AHTTNPC1TDP1SMN1; SMN2
SCHEMBL18169169 0.83 RAB9A (0.69) RAB9AHTTNPC1TDP1SMN1; SMN2
SCHEMBL3184936 0.82 ALDH1A1 (0.69) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL2212904 0.80 RAB9A (0.55) RAB9AHTTNPC1TDP1GAA
SCHEMBL2209933 0.78 MAPK1 (0.59) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL3176932 0.76 POLB (0.53) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL8879193 0.75 GAA (0.50) HTTGAAALDH1A1MEN1KMT2A
SCHEMBL2211772 0.72 GRK6 (0.56) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL7125552 0.71 GAA (0.56) HTTTDP1GAASMN1; SMN2ALDH1A1
SCHEMBL3170197 0.70 POLB (0.57) RAB9ANPC1TDP1GAASMN1; SMN2

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 RAB9A 2600/4885HTT 4507/4885NPC1 983/4885

“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.