SCHEMBL922207

SCHEMBL922207

NC(=O)c1cc2c(O)cccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.55
IDO1 P14902 1/20 0.51
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
RHEB Q15382 1/20 0.43
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
FLT3 P36888 5/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL30310312 0.84 KDM4E (0.59) HRH4IDO1GRIN2DGRIN3BGRIN1
SCHEMBL2762336 0.84 KDM4E (0.59) HRH4IDO1GRIN2DGRIN3BGRIN1
SCHEMBL31156446 0.82 HRH4 (0.57) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16339983 0.82 HRH4 (0.57) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8210176 0.82 RHEB (0.43) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30295665 0.81 FLT3 (0.57) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL924331 0.81 FLT3 (0.57) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20505087 0.81 FLT3 (0.57) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15511675 0.81 FLT3 (0.57) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL915460 0.78 HRH4 (0.55) HRH4IDO1FLT3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 CN disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 CN disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO disclosed
US-5436337-A Anticarcinogenic agents THE UPJOHN COMPANY (US) 1995-07-25 US disclosed
EP-0297380-B1 Indolyl propanols, process for their preparation, their uses and preparation containing them BEIERSDORF LILLY GMBH (DE) 1994-10-05 EP disclosed
EP-0579754-A1 USE OF AMINES TO SENSITIZE MULTIDRUG-RESISTANT CELLS THE UPJOHN COMPANY (US) 1994-01-26 EP disclosed
WO-1992018089-A2 USE OF STEROIDAL AND NON-STEROIDAL AMINES TO SENSITIZE MULTIDRUG-RESISTANT CELLS THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed
US-4935414-A New indolylpropanols, processes for their preparation and their use, and preparations containing the compounds BEIERSDORF AG (DE) 1990-06-19 US disclosed
EP-0297380-A2 Indolyl propanols, process for their preparation, their uses and preparation containing them Beiersdorf-Lilly GmbH (DE) 1989-01-04 EP disclosed
EP-0191724-A2 1,4-Dihydropyridine derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1986-08-20 EP 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HRH4 478/4885IDO1 2338/4885GRIN2D 1646/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HRH4 467/4885IDO1 2377/4885GRIN2D 1655/4885

“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.