SCHEMBL5849531

SCHEMBL5849531

CCc1cc2c(=O)[nH]ccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 5/20 0.51
ADORA1 P30542 4/20 0.51
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 2/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
AGTR1 P30556 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.36
PARP1 P09874 1/20 0.35
ICAM1 P05362 1/20 0.35

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
SCHEMBL20586642 0.83 CYP2A6 (0.41) TMIGD3ADORA1CYP2C9CYP1A2HPGD
SCHEMBL20586847 0.82 ALDH1A1 (0.39) TMIGD3ADORA1CYP2C9CYP1A2HPGD
SCHEMBL4341520 0.77 ALDH1A1 (0.47) CYP2C9CYP1A2HPGDALDH1A1RAB9A
SCHEMBL20586744 0.75 PIM1 (0.40) ADORA1ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7835046 0.74 PARP1 (0.39) CYP2C9CYP1A2HPGDALDH1A1RAB9A
SCHEMBL1774094 0.73 PARP1 (0.43) CYP2C9CYP1A2HPGDALDH1A1RAB9A
SCHEMBL12219884 0.72 PARP1 (0.35) CYP2C9CYP1A2HPGDALDH1A1RAB9A
SCHEMBL12278072 0.71 SELE (0.41) TMIGD3ADORA1CYP2C9CYP1A2HPGD
SCHEMBL17426227 0.71 SELE (0.41) TMIGD3ADORA1CYP2C9CYP1A2HPGD
SCHEMBL15716637 0.70 CYP2A6 (0.42) CYP2C9CYP1A2HPGDALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 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 (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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 TMIGD3 3808/4885ADORA1 3645/4885CYP2C9 352/4885

“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.