SCHEMBL13780482

SCHEMBL13780482

C=C(N)COc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.61
AGXT P21549 2/20 0.58
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HTT P42858 3/20 0.54
PPARG P37231 2/20 0.54
NCOA2 Q15596 2/20 0.54
NCOA1 Q15788 2/20 0.54
NCOA3 Q9Y6Q9 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
ALOX5 P09917 1/20 0.50
RECQL P46063 1/20 0.49

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
SCHEMBL1478177 0.81 PTPN7 (0.71) PTPN7AGXTMEN1KMT2AHTT
SCHEMBL8430491 0.81 PTPN7 (0.61) PTPN7AGXTMEN1KMT2AHTT
SCHEMBL30276927 0.81 PTPN7 (0.61) PTPN7AGXTMEN1KMT2AHTT
SCHEMBL30439679 0.81 PTPN7 (0.71) PTPN7AGXTMEN1KMT2AHTT
SCHEMBL14155150 0.79 PTPN7 (0.57) PTPN7AGXTMEN1KMT2AHTT
SCHEMBL12696331 0.78 ALOX15 (0.56) MEN1KMT2AHPGDRECQLALDH1A1
SCHEMBL29120010 0.77 PTPN7 (0.70) PTPN7AGXTMEN1KMT2AHTT
SCHEMBL27194588 0.77 PTPN7 (0.76) PTPN7AGXTMEN1KMT2AHTT
SCHEMBL6563888 0.76 PTPN7 (0.73) PTPN7AGXTMEN1KMT2AHTT
SCHEMBL25640 0.76 PTPN7 (1.00) PTPN7MEN1KMT2AHTTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176776-A1 SMALL MOLECULE INHIBITORS OF HIV-1 CAPSID ASSEMBLY UNIVERSITY OF ALABAMA AT BIRMINGHAM (US) 2009-07-09 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-20090176776-A1 SMALL MOLECULE INHIBITORS OF HIV-1 CAPSID ASSEMBLY CLINT1, ZC3HAV1, CLTC PTPN7 1942/4885AGXT 3976/4885MEN1 4867/4885

“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.