SCHEMBL5334485

SCHEMBL5334485

O=c1c2ccc3cc[nH]c3c2ccn1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.45
EGLN1 Q9GZT9 6/20 0.43
ALDH1A1 P00352 2/20 0.43
DBH P09172 1/20 0.43
MAPK14 Q16539 5/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
VEGFA P15692 1/20 0.39
METAP2 P50579 1/20 0.38
BRD4 O60885 1/20 0.38
TAF1 P21675 1/20 0.38
BRPF1 P55201 1/20 0.38
CREBBP Q92793 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL14515066 0.80 DHPS (0.46) DHPSEGLN1ALDH1A1DBHMAPK14
SCHEMBL6385918 0.76 MEN1 (0.46) DHPSEGLN1ALDH1A1DBHMAPK14
SCHEMBL1757848 0.71 ACHE (0.59) DHPSEGLN1ALDH1A1MAPK14LMNA
SCHEMBL24499451 0.71 HTR6 (0.54) DHPSEGLN1ALDH1A1MAPK14LMNA
SCHEMBL29809414 0.71 ACHE (0.59) DHPSEGLN1ALDH1A1MAPK14LMNA
SCHEMBL5314553 0.71 DHPS (0.44) DHPSEGLN1ALDH1A1MAPK14LMNA
SCHEMBL4147543 0.71 PARP1 (0.62) DHPSEGLN1ALDH1A1MAPK14LMNA
SCHEMBL31006516 0.70 HSP90AB1 (0.57) DHPSEGLN1ALDH1A1MAPK14KDM4E
SCHEMBL29283795 0.70 HSP90AB1 (0.57) DHPSEGLN1ALDH1A1MAPK14KDM4E
SCHEMBL4565730 0.70 DHPS (0.48) DHPSEGLN1ALDH1A1LMNAKDM4E

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
WO-2007053353-A2 PYRROLO[2,3-F] AND [3,2-F]ISOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 WO disclosed
WO-2007053353-A2 PYRROLO[2,3-F] AND [3,2-F]ISOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 WO disclosed
US-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 US disclosed
US-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 US disclosed
US-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 US 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-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands HTR2C, HTR5A, HTR6 DHPS 1073/4885EGLN1 2592/4885ALDH1A1 1743/4885

“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.