SCHEMBL2213232

SCHEMBL2213232

N#Cc1cccc(-c2csc(SCC(=O)O)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.56
RAB9A P51151 4/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
EIF4E P06730 2/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.45
MAPT P10636 2/20 0.44
CPT2 P23786 1/20 0.44
CPT1A P50416 1/20 0.44
CPT1B Q92523 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 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
SCHEMBL2214514 0.85 RAB9A (0.52) RAB9AHTTNPC1TDP1SMN1; SMN2
SCHEMBL18169169 0.82 RAB9A (0.69) RAB9AHTTNPC1TDP1SMN1; SMN2
SCHEMBL2211772 0.81 GRK6 (0.56) GRK6RAB9ANPC1TDP1SMN1; SMN2
SCHEMBL2214966 0.78 MEN1 (0.69) GRK6RAB9AHTTTDP1SMN1; SMN2
SCHEMBL3184936 0.73 ALDH1A1 (0.69) RAB9ANPC1TDP1SMN1; SMN2KMT2A
SCHEMBL3765637 0.72 IDO1 (0.49) RAB9AEIF4EHPGDMAPTALDH1A1
SCHEMBL30552612 0.72 ALDH1A1 (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL1858562 0.72 EIF4E (0.61) SMN1; SMN2EIF4EKMT2AMEN1LMNA
SCHEMBL7371077 0.72 ALDH1A1 (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL31173457 0.71 CSNK2A2 (0.60) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 GRK6 1201/4885RAB9A 2600/4885HTT 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.