SCHEMBL710073

SCHEMBL710073

COC(=O)c1ccc2ccn(Cc3ccccn3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
POLB P06746 2/20 0.54
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
BRD4 O60885 2/20 0.51
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HSP90AA1 P07900 1/20 0.47
HSP90B1 P14625 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 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
SCHEMBL31525423 0.91 EGFR (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1609247 0.85 HDAC6 (0.56) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8685995 0.82 HDAC8 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL12359866 0.81 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30444258 0.80 HDAC8 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL13011174 0.79 CNR2 (0.56) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL6086717 0.78 HDAC8 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL11976834 0.77 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL25424837 0.77 KDM5A (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL29587499 0.77 KDM5A (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP disclosed
CN-100391944-C Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL NV (NL) 2008-06-04 CN disclosed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US disclosed
CN-1714078-A Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL NV (NL) 2005-12-28 CN disclosed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP disclosed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 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 (2 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-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS AR, NR5A1, SHBG KDM4E 2226/4885ALDH1A1 1052/4885HPGD 1079/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG KDM4E 2568/4885ALDH1A1 773/4885HPGD 606/4885

“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.