SCHEMBL6513474

SCHEMBL6513474

COc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)NC(=O)N3C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
MAPT P10636 6/20 0.52
THRB P10828 1/20 0.52
GFER P55789 1/20 0.52
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.50
MAPK1 P28482 1/20 0.49
HDAC1 Q13547 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL6606492 0.79 LMNA (0.52) DRD2MAPTTHRBGFERNR1H4
SCHEMBL6605355 0.78 LMNA (0.51) DRD2MAPTTHRBGFERALDH1A1
SCHEMBL6609494 0.77 LMNA (0.51) DRD2MAPTTHRBGFERMEN1
SCHEMBL6470694 0.77 NPC1 (0.51) DRD2MAPTTHRBMEN1KMT2A
SCHEMBL6512442 0.75 LMNA (0.49) DRD2MAPTTHRBALDH1A1RAB9A
SCHEMBL6607095 0.75 LMNA (0.49) DRD2MAPTTHRBGFERMEN1
SCHEMBL11761142 0.74 NPC1 (0.82) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9416606 0.74 NPC1 (0.82) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6470981 0.74 LMNA (0.47) MAPTTHRBGFERKMT2ASMN1; SMN2
SCHEMBL20804653 0.73 NPC1 (0.70) MAPTALDH1A1MEN1KMT2ANPC1

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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
EP-1368327-B1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-10-20 EP disclosed
EP-1368327-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-6656932-B2 Treating osteoarthritis, rheumatoid arthritis, cancer, inflammation, and heart failure WARNER-LAMBERT COMPANY 2003-12-02 US disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-24 US disclosed
WO-2002064578-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 DRD2 4169/4885MAPT 2826/4885THRB 621/4885
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors MMP15, MMP13, MMP3 DRD2 2848/4885MAPT 4336/4885THRB 694/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 DRD2 3751/4885MAPT 2607/4885THRB 957/4885

“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.