SCHEMBL621997

SCHEMBL621997

O=Cc1cc2c(cc1Cl)SCC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.45
MAOB P27338 6/20 0.45
EPHX2 P34913 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL10511911 0.83 MAOA (0.53) MAOAMAOBEPHX2HTTALDH1A1
SCHEMBL3071633 0.81 MAOA (0.45) MAOAMAOBEPHX2HTTALDH1A1
SCHEMBL5520116 0.77 MAOA (0.45) MAOAMAOBEPHX2HTTALDH1A1
SCHEMBL10273849 0.77 EPHX2 (0.56) MAOAMAOBEPHX2HTTALDH1A1
SCHEMBL7451837 0.73 MAOA (0.47) MAOAMAOBEPHX2HTTALDH1A1
SCHEMBL30954132 0.73 MAOA (0.47) MAOAMAOBEPHX2HTTALDH1A1
SCHEMBL619813 0.73 HTT (0.57) MAOAMAOBEPHX2HTTALDH1A1
SCHEMBL10648562 0.73 KMT2A (0.47) MAOAMAOBEPHX2HTTALDH1A1
SCHEMBL622422 0.72 HTT (0.56) MAOAMAOBEPHX2HTTALDH1A1
SCHEMBL620716 0.72 MEN1 (0.40) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 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 (3 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 MAOA 2015/4885MAOB 1783/4885EPHX2 1934/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAOA 2662/4885MAOB 2210/4885EPHX2 3574/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAOA 2662/4885MAOB 2210/4885EPHX2 3574/4885

“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.