SCHEMBL5778874

SCHEMBL5778874

CCc1cc(Br)c(OC)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ABCB1 P08183 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2A P28223 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
HTR1A P08908 2/20 0.44
RXRA P19793 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL3987117 0.94 PTPN1 (0.52) PTPN1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1318112 0.84 MEN1 (0.56) PTPN1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL20982537 0.84 HTR2A (0.52) PTPN1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL6807773 0.83 NR1H4 (0.47) PTPN1RAB9ASMN1; SMN2ABCB1HTR2A
SCHEMBL7078292 0.83 ERN1 (0.56) PTPN1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL6899274 0.82 NR1H4 (0.48) PTPN1RAB9ASMN1; SMN2ABCB1HTR2A
SCHEMBL29025569 0.82 KMT2A (0.61) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL27090061 0.82 KDM1A (0.43) NPC1RAB9AMRGPRX4
SCHEMBL16369293 0.82 PTPN1 (0.48) PTPN1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL6897555 0.81 NR1H4 (0.50) PTPN1RAB9ASMN1; SMN2ABCB1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434624-B1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PROD INC (US) 2006-11-02 EP disclosed
US-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PFIZER INC. 2005-02-10 US disclosed
US-6803470-B2 NITRIC OXIDE SYNTHASE INHIBITORS. PFIZER INC 2004-10-12 US disclosed
EP-1434624-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS Pfizer Products Inc. (US) 2004-07-07 EP disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2003-05-08 US disclosed
WO-2003030993-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-04-17 WO disclosed
WO-2003030993-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-04-17 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 (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-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PNMT, HTR6, HTR2C PTPN1 970/4885NPC1 373/4885HPGD 1176/4885
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 PTPN1 985/4885NPC1 2017/4885HPGD 763/4885
US-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PNMT, HTR6, HTR2C PTPN1 1064/4885NPC1 345/4885HPGD 1127/4885

“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.