SCHEMBL1990486

SCHEMBL1990486

O=C(c1cnn(-c2ccccc2)c1)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 6/20 0.62
MAPT P10636 6/20 0.62
HPGD P15428 4/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
HTT P42858 2/20 0.62
PTGDR2 Q9Y5Y4 5/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
GAA P10253 1/20 0.55
HPGDS O60760 1/20 0.54
ALKBH2 Q6NS38 1/20 0.54

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
SCHEMBL1997356 0.84 RAB9A (0.73) RAB9ANPC1MAPTHPGDNFKB1
SCHEMBL1995879 0.81 PTGDR2 (0.72) RAB9ANPC1MAPTHPGDNFKB1
SCHEMBL11710855 0.78 AKR1C2 (0.61) MAPTHTTACLYKDM4EALDH1A1
SCHEMBL7729542 0.78 HPGDS (0.79) RAB9ANPC1MAPTHPGDNFKB1
SCHEMBL1993042 0.77 RAB9A (1.00) RAB9ANPC1MAPTHPGDNFKB1
SCHEMBL1996052 0.75 PTGDR2 (1.00) RAB9ANPC1MAPTHPGDPTGDR2
SCHEMBL1994898 0.73 MAPT (1.00) RAB9ANPC1MAPTHPGDNFKB1
SCHEMBL27665802 0.73 RAB9A (0.73) RAB9ANPC1MAPTHPGDNFKB1
SCHEMBL1993946 0.73 NPC1 (1.00) RAB9ANPC1MAPTHPGDNFKB1
SCHEMBL1993758 0.73 RAB9A (0.73) RAB9ANPC1MAPTHPGDNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 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 (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-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 RAB9A 2702/4885NPC1 2796/4885MAPT 4672/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 RAB9A 2089/4885NPC1 2431/4885MAPT 4755/4885

“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.