SCHEMBL4076514

SCHEMBL4076514

CNC(=O)Nc1ccccc1I

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.73
ALDH1A1 P00352 2/20 0.73
RECQL P46063 1/20 0.73
GRIK1 P39086 1/20 0.50
POLB P06746 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
SIGMAR1 Q99720 4/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
PTGER3 P43115 1/20 0.43
IKBKB O14920 1/20 0.42

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
SCHEMBL14003501 0.85 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1RECQLPOLBTDP1
SCHEMBL25925791 0.80 SMN1; SMN2 (0.80) SMN1; SMN2ALDH1A1RECQLPOLBTDP1
SCHEMBL13480592 0.79 GAA (0.59) SMN1; SMN2ALDH1A1RECQLGRIK1POLB
SCHEMBL28416832 0.79 ALDH1A1 (0.87) SMN1; SMN2ALDH1A1RECQLPOLBTDP1
SCHEMBL74521 0.79 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1POLBSIGMAR1NPC1
SCHEMBL5658762 0.78 MDM4 (0.65) SMN1; SMN2ALDH1A1RECQLGRIK1POLB
SCHEMBL5452136 0.78 SMN1; SMN2 (0.65) SMN1; SMN2GRIK1POLBTDP1NPC1
SCHEMBL7094650 0.78 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1RECQLGRIK1POLB
SCHEMBL8369698 0.78 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1RECQLPOLBNPC1
SCHEMBL2148591 0.77 SIGMAR1 (0.56) SMN1; SMN2ALDH1A1RECQLGRIK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 EP disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US disclosed
EP-1824817-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-08-29 EP disclosed
WO-2006059149-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-06-08 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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A SMN1; SMN2 200/4885ALDH1A1 548/4885RECQL 2229/4885

“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.