SCHEMBL6285013

SCHEMBL6285013

COc1ccc(-c2cc3nnccc3[nH]2)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
KMT2A Q03164 9/20 0.47
MEN1 O00255 7/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.45
GAA P10253 4/20 0.41
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL6288146 0.88 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6288171 0.87 KMT2A (0.49) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6286002 0.85 KMT2A (0.50) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6286353 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6286947 0.83 KMT2A (0.52) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6288130 0.82 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6288124 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6285927 0.81 KMT2A (0.52) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6496744 0.81 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6285019 0.80 ACLY (0.36) ALDH1A1KMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 522/4885KMT2A 4200/4885MEN1 3508/4885

“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.