SCHEMBL2135825

SCHEMBL2135825

O=C(CCc1ccccc1)N1CCC1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ RIPK1 Q13546 2/20 0.54
▸ EPHX2 P34913 2/20 0.52
▸ PARP1 P09874 1/20 0.51
▸ FKBP1A P62942 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GRIN2B Q13224 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NAAA Q02083 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
SCHEMBL2132198 0.91 NPC1 (0.57) POLBNPC1RIPK1EPHX2SMN1; SMN2
SCHEMBL25884649 0.91 EPHX2 (0.63) POLBNPC1TDP1RIPK1EPHX2
SCHEMBL14646676 0.82 TACR1 (0.59) POLBNPC1TDP1PARP1FKBP1A
SCHEMBL17026995 0.77 RIPK1 (0.67) POLBRIPK1EPHX2
SCHEMBL2038120 0.76 EPHX2 (0.59) POLBRIPK1EPHX2HPGDL3MBTL1
SCHEMBL28303699 0.76 EPHX2 (0.59) POLBRIPK1EPHX2HPGDL3MBTL1
SCHEMBL13370801 0.76 EPHX2 (0.59) POLBRIPK1EPHX2HPGDL3MBTL1
SCHEMBL18922669 0.75 GBA1 (0.52) POLBNPC1TDP1FKBP1ASIGMAR1
SCHEMBL20905497 0.75 RIPK1 (0.61) NPC1RIPK1EPHX2MEN1RAB9A
SCHEMBL1786176 0.75 CHRNA7 (0.54) POLBNPC1TDP1FKBP1AHPGD

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 POLB 1117/4885NPC1 3372/4885TDP1 4043/4885

“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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