SCHEMBL5314946

SCHEMBL5314946

NCCn1ccc2ccc3c(=O)n(Cc4sc5ccccc5c4Cl)ccc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
PARP1 P09874 1/20 0.34
ASIC3 Q9UHC3 1/20 0.32
OGG1 O15527 1/20 0.32
TBXAS1 P24557 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
TP53 P04637 1/20 0.31
DHPS P49366 1/20 0.31
MAPT P10636 2/20 0.31
GRM2 Q14416 2/20 0.30
HTR6 P50406 1/20 0.30
KDM4E B2RXH2 1/20 0.30
S1PR2 O95136 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5314553 0.80 DHPS (0.44) PARP1DHPSMAPTGRM2KDM4E
Hydrochloric Acid SCHEMBL5656624 0.79 DHPS (0.43) PARP1DHPSMAPTGRM2KDM4E
SCHEMBL5332356 0.78 GRM2 (0.44) HTR2AHTR2CMAPTGRM2KDM4E
SCHEMBL5308823 0.76 HTT (0.45) PARP1HTR2AHTR2CMAPTALDH1A1
SCHEMBL5654201 0.74 EGLN1 (0.47) TP53MAPTHTR6KDM4EALDH1A1
SCHEMBL5655496 0.70 DYRK1A (0.41) PARP1HTR2AHTR2CHTR6CYP1A2
SCHEMBL5654278 0.68 HTR2C (0.41) PARP1HTR2AHTR2CHTR6CYP1A2
SCHEMBL5314950 0.66 HTR2A (0.44) HTR2AHTR2CDHPSGRM2HTR6
Hydrochloric Acid SCHEMBL5655466 0.65 HTR2A (0.43) HTR2AHTR2CDHPSGRM2HTR6
SCHEMBL1238170 0.65 TNF (0.52) PARP1HTR2AHTR2CMAPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 US claimed
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

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 LOXL2 2441/4885PARP1 2857/4885ASIC3 646/4885

“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.