SCHEMBL6340069

SCHEMBL6340069

O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.75
▸ KDM4E B2RXH2 3/20 0.61
▸ POLB P06746 1/20 0.61
▸ LMNA P02545 1/20 0.60
▸ PARP1 P09874 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ AR P10275 1/20 0.54
▸ ROCK2 O75116 1/20 0.53
▸ ROCK1 Q13464 1/20 0.53
▸ PRMT5 O14744 1/20 0.53

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
SCHEMBL13858810 0.87 KDM4E (0.66) BRD4KDM4EPOLBLMNAPARP1
SCHEMBL1402717 0.84 BRD4 (0.55) BRD4KDM4EALDH1A1MEN1GAA
SCHEMBL17444767 0.83 KDM4E (0.73) BRD4KDM4EPOLBLMNAPARP1
SCHEMBL4713932 0.82 SMN1; SMN2 (0.61) BRD4KDM4EPOLBLMNAPARP1
SCHEMBL6326328 0.79 BRD4 (0.62) BRD4KDM4EPOLBLMNAPARP1
SCHEMBL12955534 0.77 ROCK2 (0.66) KDM4ELMNAPARP1MAPTGAA
SCHEMBL2610104 0.76 KDM4E (1.00) KDM4EPOLBLMNAPARP1TDP1
SCHEMBL5165966 0.76 MAPT (0.78) KDM4EPOLBLMNAPARP1MAPT
SCHEMBL17444764 0.76 TDP1 (0.57) BRD4KDM4EPOLBLMNAPARP1
SCHEMBL17444766 0.76 KDM4E (0.60) BRD4KDM4EPOLBLMNAPARP1

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-6949549-B2 Imidazolophthalazine derivatives as ligands for GABAA receptors MERCK SHARP & DOHME LTD. (GB) 2005-09-27 — — US disclosed
US-20040147517-A1 Imidazolophthalazine derivatives as ligands for gabaa receptors MERCK SHARP & DOHME LTD. (GB) 2004-07-29 — — US disclosed
EP-1303516-A1 IMIDAZOLOPHTHALAZINE DERIVATIVES AS LIGANDS FOR GABA A? RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-04-23 — — EP disclosed
WO-2002006285-A1 IMIDAZOLOPHTHALAZINE DERIVATIVES AS LIGANDS FOR GABAA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-01-24 — — 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-20040147517-A1 Imidazolophthalazine derivatives as ligands for gabaa receptors GABRA5, GABRP, GABRA6 BRD4 3944/4885KDM4E 4133/4885POLB 2830/4885

“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.

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