SCHEMBL7937313

SCHEMBL7937313

Cc1ccc2c(c1)N=CCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ADRA2A P08913 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SYK P43405 1/20 0.35
MMP12 P39900 1/20 0.35
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL30933547 0.86 NPC1 (0.39) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL30933550 0.82 GAA (0.42) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL657838 0.78 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL5166376 0.77 SYK (0.45) MAPTNPC1RAB9AALDH1A1SYK
SCHEMBL12319727 0.77 PARP1 (0.40) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31017007 0.77 ALDH1A1 (0.41) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL17083242 0.75 NPC1 (0.39) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL30933549 0.74 CTSD (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HTR2C
SCHEMBL30933579 0.73 MAPT (0.33) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL224636 0.71 TRPA1 (0.42) MAPTNPC1RAB9ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
WO-2010077589-A2 STAT3 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 WO disclosed
WO-2010025235-A1 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-04 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 (2 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-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A MAPT 4008/4885NPC1 1999/4885RAB9A 2010/4885
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF STAT3, JAK2, STAT6 MAPT 4415/4885NPC1 3369/4885RAB9A 3159/4885

“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.