SCHEMBL5447339

SCHEMBL5447339

Cc1cc(N)c2ncccc2c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.59
NPC1 O15118 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NSD2 O96028 1/20 0.51
CASP6 P55212 1/20 0.51
G6PD P11413 1/20 0.51
CCR1 P32246 1/20 0.49
CCR8 P51685 1/20 0.49
SLC40A1 Q9NP59 1/20 0.48
HSP90AB1 P08238 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL8103326 0.85 HSP90AA1 (0.59) HSP90AA1NPC1L3MBTL1NSD2CASP6
SCHEMBL27318336 0.84 HSP90AA1 (0.57) HSP90AA1NPC1L3MBTL1NSD2CASP6
SCHEMBL862349 0.82 L3MBTL1 (0.65) HSP90AA1NPC1L3MBTL1CCR1CCR8
SCHEMBL5447287 0.82 NSD2 (0.65) HSP90AA1NPC1L3MBTL1NSD2CASP6
SCHEMBL11973614 0.82 G6PD (0.65) HSP90AA1NPC1L3MBTL1NSD2CASP6
SCHEMBL2268383 0.80 NSD2 (0.70) HSP90AA1NPC1L3MBTL1NSD2CASP6
SCHEMBL15322937 0.78 LMNA (0.50) HSP90AA1NPC1L3MBTL1NSD2CASP6
SCHEMBL22250697 0.78 HSP90AA1 (0.59) HSP90AA1NPC1L3MBTL1G6PDCCR1
SCHEMBL16132524 0.78 L3MBTL1 (0.59) HSP90AA1NPC1L3MBTL1CASP6CCR1
SCHEMBL29800867 0.77 PSMD14 (0.61) HSP90AA1NPC1L3MBTL1NSD2CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103492028-B Sulfonaminoquinoline hepcidin antagonists 维福(国际)股份公司 2017-02-08 CN disclosed
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 EP disclosed
US-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 US disclosed
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2014-12-11 US disclosed
CN-103492028-A Novel sulfonaminoquinoline hepcidin antagonists VIFOR INT AG 2014-01-01 CN disclosed
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
US-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation KANE JOHN L JR 2007-11-01 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-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 HSP90AA1 1109/4885NPC1 734/4885L3MBTL1 3925/4885
US-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation MKI67, VEGFA, KDR HSP90AA1 276/4885NPC1 1891/4885L3MBTL1 2672/4885
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 HSP90AA1 1109/4885NPC1 734/4885L3MBTL1 3925/4885

“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.