SCHEMBL2136372

SCHEMBL2136372

O=C1CCC(Cc2ccccn2)N1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.44
DDB1 Q16531 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
CTSD P07339 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.37
NR3C1 P04150 1/20 0.37

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
SCHEMBL10715287 0.79 MTNR1A (0.45) CRBNDDB1SMN1; SMN2
SCHEMBL29472892 0.78 DDB1 (0.39) CRBNDDB1ALDH1A1MEN1KMT2A
SCHEMBL29007973 0.76 GABRA1 (0.44) CRBNDDB1PDCD1CD274
SCHEMBL29007974 0.76 GABRA1 (0.44) CRBNDDB1PDCD1CD274
SCHEMBL6969464 0.76 HSD17B10 (0.40) CRBNDDB1PDCD1CD274MEN1
SCHEMBL23978027 0.76 HRH1 (0.39) KDM4ESMN1; SMN2
SCHEMBL8270781 0.75 CTSD (0.59) CRBNDDB1POLBCTSD
SCHEMBL19419777 0.75 CTSD (0.59) CRBNDDB1POLBCTSD
SCHEMBL2132646 0.75 CTSD (0.59) CRBNDDB1POLBCTSD
SCHEMBL9771809 0.74 KMT2A (0.40) CRBNDDB1ALDH1A1MEN1KMT2A

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 6 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
CN-102458393-B Composition for treatment of tuberculosis BIOVERSYS GMBH 2014-08-20 CN disclosed
CN-102458393-A Composition for treating pulmonary tuberculosis BIOVERSYS GMBH 2012-05-16 CN 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
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 CRBN 1143/4885DDB1 3948/4885ALDH1A1 3428/4885

“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.