SCHEMBL3590723

SCHEMBL3590723

O=[N+]([O-])c1cncc(Br)c1OCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.43
RAB9A P51151 3/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 6/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 2/20 0.38
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
MAOA P21397 1/20 0.38
CYP19A1 P11511 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL17913257 0.86 PIN1 (0.50) MGMTRAB9AMAPTNPSR1CYP19A1
SCHEMBL3582436 0.76 MGMT (0.43) MGMTRAB9AHTTALDH1A1MAPT
SCHEMBL3487176 0.76 ALDH1A1 (0.39) RAB9AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL3586579 0.76 RAB9A (0.50) MGMTRAB9AHTTALDH1A1MAPT
SCHEMBL26162776 0.75 POLB (0.34) HTTALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL24815934 0.73 NPC1 (0.33) RAB9AHTTALDH1A1MAPTLMNA
SCHEMBL2771800 0.73 MAPT (0.48) MGMTRAB9AHTTALDH1A1MAPT
SCHEMBL17915374 0.72 MAPT (0.45) RAB9AALDH1A1MAPTL3MBTL1TDP1
SCHEMBL30792297 0.72 PTGES (0.51) MGMTRAB9AMAPTTDP1MAOB
SCHEMBL20517661 0.70 ALDH1A1 (0.43) HTTALDH1A1MAPTNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP disclosed
US-7642269-B2 Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-01-05 US disclosed
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-13 US disclosed
EP-1784403-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006038773-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-04-13 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 (1 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-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, PPOX MGMT 4361/4885RAB9A 270/4885HTT 877/4885

“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.