SCHEMBL6286030

SCHEMBL6286030

COc1ccc(-c2nc3ccncc3[nH]2)cc1NC(=O)N(S)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
HPSE Q9Y251 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AMY1A P0DUB6 1/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AURKA O14965 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE5A O76074 3/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ENPP1 P22413 1/20 0.40

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
SCHEMBL6711333 0.90 AMY1A (0.43) ALDH1A1KDM4EHPGDHPSESMN1; SMN2
SCHEMBL6288129 0.85 MAPT (0.41) ALDH1A1KDM4EHPSESMN1; SMN2AMY1A
SCHEMBL6285928 0.85 KMT2A (0.39) ALDH1A1SMN1; SMN2TDP1MAPTMEN1
SCHEMBL6288126 0.85 AMY1A (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2AMY1A
SCHEMBL6286108 0.84 AMY1A (0.38) ALDH1A1KDM4ESMN1; SMN2AMY1AMAPT
SCHEMBL6286958 0.83 F3 (0.43) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL6286254 0.83 GSK3B (0.44) ALDH1A1KDM4EAMY1AMAPTMEN1
SCHEMBL6288131 0.81 IRAK4 (0.40) ALDH1A1SMN1; SMN2TDP1MAPTMEN1
SCHEMBL6282536 0.80 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHPSESMN1; SMN2
SCHEMBL6286023 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHPSESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US claimed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP claimed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
US-6943174-B2 6,5-Fused bicyclic heterocycles WARNER-LAMBERT COMPANY (US) 2005-09-13 US disclosed
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US disclosed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP disclosed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 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-20040014759-A1 6,5-Fused bicyclic heterocycles ALOX15, ALOX5, ALOX15B ALDH1A1 522/4885KDM4E 2221/4885HPGD 212/4885

“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.