SCHEMBL4766564

SCHEMBL4766564

O=[N+]([O-])c1cc(F)ccc1SCCCCl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.49
CA2 P00918 2/20 0.48
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
GSTP1 P09211 5/20 0.40
GSTM2 P28161 5/20 0.40
APEX1 P27695 1/20 0.40
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
USP10 Q14694 1/20 0.36
USP7 Q93009 1/20 0.36
USP47 Q96K76 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4762871 0.82 CA2 (0.48) PDE7ACA2ALDH1A1MAPTGSTP1
SCHEMBL1136130 0.82 PDE7A (0.51) PDE7ACA2ALDH1A1MAPTTDP1
SCHEMBL9478154 0.80 ALDH1A1 (0.51) CA2ALDH1A1MAPTTDP1TXNRD1
SCHEMBL23302290 0.78 PDE7A (0.54) PDE7ACA2ALDH1A1MAPTTDP1
SCHEMBL14235422 0.75 APEX1 (0.69) PDE7ACA2ALDH1A1MAPTTDP1
SCHEMBL6173449 0.73 MAPT (0.47) PDE7ACA2ALDH1A1MAPTAPEX1
SCHEMBL6494276 0.73 NPC1 (0.51) ALDH1A1MAPTTDP1ATMMAPK1
SCHEMBL3874156 0.73 PDE7A (0.58) PDE7AALDH1A1MAPTTDP1ATM
SCHEMBL24694761 0.73 POLB (0.36) CA2ATML3MBTL1
Hydrochloric Acid SCHEMBL4770910 0.72 SLC6A2 (0.41) PDE7ACA2ALDH1A1

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
EP-1910361-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007016353-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 WO disclosed
US-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 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-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists HTR2B, HTR1A, HTR3B PDE7A 308/4885CA2 3610/4885ALDH1A1 1702/4885

“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.