SCHEMBL3316273

SCHEMBL3316273

CNc1ccsc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
PTGS2 P35354 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDPK1 O15530 1/20 0.38
TSHR P16473 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36

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
SCHEMBL3318128 0.76 TP53 (0.49) KMT2ATP53ALOX15MAPK1KDM4E
SCHEMBL15400418 0.75 FABP3 (0.49) KMT2APTGS2TP53ALOX15MAPK1
SCHEMBL1821918 0.73 CYP2A6 (0.60) KMT2APTGS2TP53ALOX15MAPK1
SCHEMBL8778284 0.72 KEAP1 (0.42) KMT2APTGS2TP53ALOX15MAPK1
SCHEMBL4953413 0.71 PTGS2 (0.48) PTGS2CA2CA9
SCHEMBL3321379 0.71 KDM4E (0.56) KMT2ATP53ALOX15MAPK1KDM4E
SCHEMBL1147544 0.71 MAPT (0.50) KMT2APTGS2TP53ALOX15MAPK1
SCHEMBL1681771 0.70 PTGS2 (0.65) PTGS2
SCHEMBL3316024 0.70 KMT2A (0.50) KMT2APTGS2TP53ALOX15MAPK1
SCHEMBL28036792 0.70 KMT2A (0.50) KMT2APTGS2TP53ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605784-B Aza-bridged-ring compound ASTELLAS PHARMA INC JP 2013-04-10 CN disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
CN-101605784-A Aza-bridged-ring compound ASTELLAS PHARMA INC (JP) 2009-12-16 CN disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 KMT2A 496/4885PTGS2 1024/4885TP53 2427/4885

“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.