SCHEMBL6477196

SCHEMBL6477196

Fc1ccc(CC2=NCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.37
HTR2C P28335 3/20 0.36
LMNA P02545 1/20 0.36
IDO1 P14902 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
PARP1 P09874 1/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
HTR2B P41595 2/20 0.35
TAAR1 Q96RJ0 3/20 0.34
DPP7 Q9UHL4 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HTR2A P28223 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 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
SCHEMBL1429748 0.81 ALOX15 (0.46) HTR2CLMNAIDO1CHRNB4CHRNA3
SCHEMBL697719 0.80 TAAR1 (0.44) HTR2CLMNACHRNB4CHRNA3TAAR1
SCHEMBL6483247 0.77 SLC6A4 (0.41) NPC1RAB9A
SCHEMBL11479336 0.76 ALOX15 (0.53) HTR2CLMNACHRNB4CHRNA3HTR2B
SCHEMBL12438888 0.73 NOS3 (0.41) TP53RAB9A
SCHEMBL11471508 0.72 PTGIR (0.47) LMNAIDO1NPC1RAB9A
SCHEMBL2986753 0.69 HSD17B10 (0.56) CHRNB4CHRNA3
SCHEMBL2370077 0.69 IDO1 (0.42) HTR2CLMNAIDO1LOXL2TAAR1
SCHEMBL16561361 0.68 IDO1 (0.58) LMNAIDO1LOXL2TAAR1
SCHEMBL1468357 0.68 IDO1 (0.58) LMNAIDO1LOXL2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 US disclosed
CN-1191254-C Fused pyrrole compounds, pharmaceutical composition containing the same, and the use thereof MARCKLE GMBH (DE) 2005-03-02 CN disclosed
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2004-06-24 US disclosed
EP-1246825-B1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2003-12-17 EP disclosed
CN-1418217-A Fused pyrrole compounds, pharmaceutical composition containing the same, and the use thereof MARCKLE GMBH (DE) 2003-05-14 CN disclosed
EP-1246825-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2002-10-09 EP disclosed
WO-2001051491-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2001-07-19 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-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 SOS1 3432/4885HTR2C 563/4885LMNA 4779/4885

“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.