SCHEMBL1238568

SCHEMBL1238568

O=C(O)c1ccc2c(c1)NCCS2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PABPC1 P11940 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
P4HA1 P13674 1/20 0.38
HPGD P15428 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL22226785 0.88 KDM4E (0.53) HTTKDM4EMAPTALDH1A1GAA
SCHEMBL2363066 0.87 ALDH1A1 (0.47) HTTMAPTALDH1A1GAAMEN1
SCHEMBL8472412 0.83 HTT (0.59) HTTKDM4EMAPTALDH1A1GAA
SCHEMBL5507018 0.81 ALDH1A1 (0.44) HTTKDM4EMAPTALDH1A1GAA
SCHEMBL29978912 0.81 ALDH1A1 (0.60) HTTKDM4EMAPTALDH1A1GAA
SCHEMBL753087 0.81 ALDH1A1 (0.60) HTTKDM4EMAPTALDH1A1GAA
SCHEMBL1996452 0.79 L3MBTL1 (0.49) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL1997553 0.78 HDAC1 (0.46) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL1997763 0.78 HDAC1 (0.46) HTTMAPTALDH1A1GAAMEN1
SCHEMBL5311151 0.76 HTT (0.73) HTTMAPTALDH1A1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120822-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-01 US claimed
US-20150072975-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG 2015-03-12 US claimed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US claimed
US-7879843-B2 matrix metallo-proteinase inhibitors such as (-)-ethyl 4-[2-(hydroxyamino)-2-oxoethyl]-2-[3-(4-methoxyphenyl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate, used for the treatment of osteoarthritis or rheumatoid arthritis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-01 US disclosed
WO-2009035997-A2 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
CN-1285830-A Pyridylpyrrole derivatives SANKYO CO (JP) 2001-02-28 CN disclosed
EP-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP 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-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 HTT 4524/4885KDM4E 2900/4885MAPT 3446/4885

“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.