SCHEMBL2212904

SCHEMBL2212904

CC(=O)c1ccc(-c2csc(SCC(=O)O)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 5/20 0.53
HPGD P15428 2/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
ALOX5 P09917 1/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 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
SCHEMBL2211772 0.86 GRK6 (0.56) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL18169169 0.84 RAB9A (0.69) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL3184936 0.83 ALDH1A1 (0.69) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL2214514 0.80 RAB9A (0.52) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL2209933 0.79 MAPK1 (0.59) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL3176932 0.77 POLB (0.53) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL3134349 0.73 ALDH1A1 (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL6514384 0.73 RAB9A (0.73) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL10785983 0.73 CNR2 (0.52) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL3170197 0.71 POLB (0.57) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1

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 2600/4885NPC1 983/4885TDP1 3119/4885

“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.