Sugi Predict

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SCHEMBL5113720

SCHEMBL5113720

N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCCN1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ RXFP1 Q9HBX9 10/20 0.50
▸ MAPT P10636 8/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ GLA P06280 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ TP53 P04637 4/20 0.48
▸ THRB P10828 3/20 0.47
▸ PDE5A O76074 1/20 0.47
▸ PDE1A P54750 1/20 0.47
▸ PDE1B Q01064 1/20 0.47
▸ PDE1C Q14123 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5112763 0.86 MEN1 (0.48) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL4874730 0.82 MEN1 (0.53) KDM4ERXFP1MAPTMEN1KMT2A
SCHEMBL5123581 0.76 GAA (0.46) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL5111108 0.75 GAA (0.47) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL5125783 0.74 GAA (0.44) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL5119242 0.73 GAA (0.43) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4874738 0.72 MEN1 (0.46) KDM4ERXFP1MAPTMEN1KMT2A
SCHEMBL5117828 0.72 DRD2 (0.46) MAPTMEN1KMT2AGAANPSR1
SCHEMBL5114444 0.72 DRD2 (0.47) MAPTMEN1KMT2AGAATP53
SCHEMBL5123484 0.72 GAA (0.45) KDM4EMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342015-B2 Indole derivatives H. LUNDBECK A/S (DK) 2008-03-11 — — US claimed
US-20060258678-A1 Novel indole derivatives H. LUNDBECK A/S (DK) 2006-11-16 — — US claimed
EP-1399434-B1 NOVEL INDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2005-09-07 — — EP claimed
EP-1399434-A1 NOVEL INDOLE DERIVATIVES H. Lundbeck A/S (DK) 2004-03-24 — — EP claimed
WO-2003002552-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2003-01-09 — — WO claimed
US-7342015-B2 Indole derivatives H. LUNDBECK A/S (DK) 2008-03-11 — — US disclosed
US-20060258678-A1 Novel indole derivatives H. LUNDBECK A/S (DK) 2006-11-16 — — US disclosed
EP-1399434-B1 NOVEL INDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2005-09-07 — — EP disclosed
EP-1399434-A1 NOVEL INDOLE DERIVATIVES H. Lundbeck A/S (DK) 2004-03-24 — — EP disclosed
WO-2003002552-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2003-01-09 — — 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-20060258678-A1 Novel indole derivatives IDO1, TPH1, HTR5A KDM4E 2755/4885RXFP1 2239/4885MAPT 1171/4885

“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.