SCHEMBL2132155

SCHEMBL2132155

CCCCC(=O)N1CCC(c2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.66
ALDH1A1 P00352 5/20 0.64
POLB P06746 2/20 0.64
MAPT P10636 7/20 0.63
MAPK1 P28482 2/20 0.63
LMNA P02545 2/20 0.63
HTT P42858 2/20 0.63
HPGD P15428 2/20 0.63
RAB9A P51151 7/20 0.57
NPC1 O15118 5/20 0.54
GAA P10253 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
STAT1 P42224 1/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 2/20 0.54

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
SCHEMBL2133360 0.96 MAPT (0.65) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL12282136 0.92 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL2135668 0.92 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL12447346 0.85 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL12447962 0.85 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL25951461 0.84 DRD2 (0.58) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL15307435 0.84 DRD2 (0.58) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL4198757 0.82 NAMPT (0.65) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL2133791 0.82 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL6245254 0.81 NAMPT (0.64) SMN1; SMN2ALDH1A1POLBMAPTMAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
EP-2445495-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS Bioversys AG (CH) 2012-05-02 EP disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 WO disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 WO 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-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS PRMT7, NCOA3, PRMT3 SMN1; SMN2 4154/4885ALDH1A1 3428/4885POLB 1117/4885

“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.