SCHEMBL6318387

SCHEMBL6318387

O=C(c1ccc(Cl)s1)C(Cc1ccc(Cl)cc1Cl)n1cncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP19A1 P11511 4/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
AKT3 Q9Y243 1/20 0.35

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
SCHEMBL10468609 0.83 KMT2A (0.56) MEN1KMT2ATDP1CYP19A1MAPT
SCHEMBL6221460 0.82 MAPT (0.41) MEN1KMT2ATDP1CYP19A1MAPT
SCHEMBL6202771 0.81 KMT2A (0.54) MEN1KMT2ATDP1CYP19A1MAPT
SCHEMBL10355375 0.78 MEN1 (0.64) MEN1KMT2ATDP1CYP19A1MAPT
SCHEMBL10731153 0.74 MEN1 (0.59) MEN1KMT2ATDP1CYP19A1MAPT
SCHEMBL10729559 0.74 MEN1 (0.59) MEN1KMT2ATDP1CYP19A1MAPT
SCHEMBL11115308 0.74 MEN1 (0.67) MEN1KMT2ATDP1CYP19A1MAPT
SCHEMBL3230944 0.74 MEN1 (0.55) MEN1KMT2ATDP1CYP19A1MAPT
SCHEMBL10999577 0.73 MEN1 (0.57) MEN1KMT2ATDP1CYP19A1MAPT
SCHEMBL11177679 0.72 MEN1 (0.51) MEN1KMT2ATDP1CYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
US-20050112738-A1 Process for preparation of (6S,9R)-11-OXO-5,6,7,8,9,10-hexahydro-6,9-methanobenzocyclooctene MERCK & CO., INC. 2005-05-26 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-20050112738-A1 Process for preparation of (6S,9R)-11-OXO-5,6,7,8,9,10-hexahydro-6,9-methanobenzocyclooctene CYP2C9, CYP11B1, CYP2D6 MEN1 2744/4885KMT2A 4626/4885TDP1 3494/4885

“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.