SCHEMBL2133360

SCHEMBL2133360

CCCCCC(=O)N1CCC(c2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.65
▸ ALDH1A1 P00352 5/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ HTT P42858 2/20 0.65
▸ HPGD P15428 2/20 0.65
▸ SMN1; SMN2 Q16637 6/20 0.65
▸ POLB P06746 1/20 0.63
▸ RAB9A P51151 7/20 0.56
▸ NPC1 O15118 5/20 0.53
▸ GAA P10253 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ STAT1 P42224 1/20 0.53
▸ TP53 P04637 2/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL2132155 0.96 SMN1; SMN2 (0.66) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL2135668 0.90 ALDH1A1 (0.68) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL12282136 0.90 ALDH1A1 (0.68) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL12447346 0.84 ALDH1A1 (0.71) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL12447962 0.84 ALDH1A1 (0.71) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL15307435 0.83 DRD2 (0.58) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL25951461 0.83 DRD2 (0.58) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL4198757 0.81 NAMPT (0.65) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL2133791 0.81 ALDH1A1 (0.74) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL2133733 0.81 USP30 (0.47) MAPTALDH1A1MAPK1LMNAHTT

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 MAPT 2520/4885ALDH1A1 3428/4885MAPK1 3968/4885

“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.

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