SCHEMBL446852

SCHEMBL446852

[CH]1Cc2ccccc2NS1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX15 P16050 2/20 0.34
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
HK1 P19367 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PLAU P00749 1/20 0.33
MAPK13 O15264 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
SCHEMBL3489535 0.67
SCHEMBL4495963 0.64 NPC1 (0.42) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL28751195 0.64 ALOX15 (0.39) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL19677 0.64
SCHEMBL4493865 0.61 MAPT (0.46) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL3535736 0.61 AHR (0.36) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL170456 0.60 PLAU (0.43) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL293794 0.60 ALOX15 (0.45) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL29504825 0.60 PLAU (0.43) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL31312839 0.59 PLAU (0.42) NPC1MAPTRAB9AMEN1KMT2A

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118513-A1 Chemical Compounds ASTRAZENECA AB (SE) 2009-05-07 US claimed
US-7348341-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-03-25 US claimed
EP-1546130-B1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASE STATES ASTRAZENECA AB (SE) 2007-08-01 EP claimed
EP-1430050-B1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE (ESPECIALLY CCR3) ACTIVITY ASTRAZENECA AB (SE) 2006-08-02 EP claimed
EP-1274701-B1 [1,4']-BIPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2005-06-29 EP claimed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 US claimed
US-20040102432-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-05-27 US claimed
JP-2004508355-A 2004-03-18 JP claimed
US-20040014783-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-22 US claimed
US-20040006080-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-08 US claimed
US-20030166652-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-09-04 US claimed
EP-1322611-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-07-02 EP claimed
EP-1289956-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-03-12 EP claimed
EP-1274701-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP claimed
US-20020077337-A1 Chemical compounds ASTRAZENECA AB (SE) 2002-06-20 US claimed
WO-2002020484-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-03-14 WO claimed
WO-2001092227-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-06 WO claimed
WO-2001077101-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 WO claimed
US-4581356-A HYPOTENSIVE AND ANTIULCER AGENTS; ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-08 US claimed
EP-0122494-A2 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-24 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20030166652-A1 Chemical compounds CCR3, CCR1, CCR4 NPC1 112/4885MAPT 2375/4885RAB9A 1644/4885
US-20020077337-A1 Chemical compounds CCR3, CCR1, CCR4 NPC1 823/4885MAPT 2039/4885RAB9A 2344/4885
US-20090118513-A1 Chemical Compounds CCR3, CCR1, CCR4 NPC1 887/4885MAPT 2117/4885RAB9A 2189/4885
US-20040102432-A1 Chemical compounds CCL11, HRH1, HRH4 NPC1 842/4885MAPT 3842/4885RAB9A 1454/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 NPC1 823/4885MAPT 2039/4885RAB9A 2344/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 NPC1 823/4885MAPT 2039/4885RAB9A 2344/4885

“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.