SCHEMBL2134276

SCHEMBL2134276

CCc1nsc(NC(=O)c2cc([C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)sc2C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.35
KDM1A O60341 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 2/20 0.33
AR P10275 1/20 0.31
HTT P42858 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 3/20 0.30
MEN1 O00255 2/20 0.30
ALOX15 P16050 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
BTK Q06187 1/20 0.30
NPC1 O15118 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL2137940 0.86 L3MBTL1 (0.44) MAOAKDM1AL3MBTL1ALDH1A1KMT2A
SCHEMBL2135719 0.83 L3MBTL1 (0.34) MAOAL3MBTL1MAOBCYP1A2POLB
SCHEMBL2137626 0.82 AHR (0.41) MAOAL3MBTL1MAOBCYP1A2POLB
SCHEMBL2141588 0.81 CCR2 (0.35) MAOAL3MBTL1MAOBALOX15CYP1A2
SCHEMBL2140302 0.78 NR1H2 (0.38) L3MBTL1KMT2AMEN1CYP1A2POLB
SCHEMBL2139014 0.78 NR1H2 (0.38) L3MBTL1KMT2AMEN1CYP1A2POLB
SCHEMBL2141159 0.78 CYP1A2 (0.34) L3MBTL1KMT2AMEN1CYP1A2POLB
SCHEMBL2137428 0.73 L3MBTL1 (0.45) MAOAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL2139696 0.73 L3MBTL1 (0.44) MAOAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL2138670 0.72 AHR (0.37) MAOAMAOBALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2447265-A1 NOVEL THIOPHENE CARBOXAMIDE DERIVATIVE AND MEDICINAL USE OF SAME Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2012-05-02 EP disclosed
US-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2012-04-26 US 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-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF GCK, GCKR, HK2 MAOA 1773/4885KDM1A 3653/4885L3MBTL1 4632/4885

“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.