SCHEMBL4758531

SCHEMBL4758531

Nc1c(NC=O)nnn1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
ALPG P10696 1/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.39
HTT P42858 1/20 0.38
CYP2C19 P33261 1/20 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
SCHEMBL10888509 0.86 HPGD (0.55) MAPTSMN1; SMN2KMT2AHSD17B10ALDH1A1
SCHEMBL8012290 0.81 KMT2A (0.52) MAPTNPC1RAB9ASMN1; SMN2ALPG
SCHEMBL4929373 0.75 ADH1B (0.40) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL4759824 0.73 GRM2 (0.43) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL4790828 0.72 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2ALPG
SCHEMBL4759859 0.72 POLB (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL28246619 0.71 IDO1 (0.44) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL8002453 0.71 SMN1; SMN2 (0.62) MAPTSMN1; SMN2ALPGKMT2AHSD17B10
SCHEMBL28047963 0.69 ALOX15 (0.56) MAPTSMN1; SMN2KMT2AHSD17B10ALDH1A1
SCHEMBL9873632 0.67 NPC1 (0.53) MAPTNPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US disclosed
EP-1499614-A4 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2005-08-24 EP disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
EP-1499614-A1 ADENOSINE A3 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2005-01-26 EP disclosed
WO-2003095457-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-11-20 WO disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US disclosed
US-6448253-B1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-09-10 US disclosed
US-6407236-B1 TUMOR DIAGNOSIS; ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; ANTIDEPRESSANTS MEDCO RESEARCH, INC. 2002-06-18 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 (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-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 MAPT 4830/4885NPC1 2985/4885RAB9A 1531/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 MAPT 4830/4885NPC1 2985/4885RAB9A 1531/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 MAPT 4849/4885NPC1 2745/4885RAB9A 1338/4885

“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.