SCHEMBL710139

SCHEMBL710139

COc1ccc2ccn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HDAC8 Q9BY41 3/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
HTR7 P34969 1/20 0.47
P2RX7 Q99572 6/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6086629 0.83 HTR2C (0.52) HTR2AHTR2CHDAC8HDAC11HDAC6
SCHEMBL28886142 0.82 HTR2A (0.57) HTR2AHTR2CHDAC8HDAC11HDAC6
SCHEMBL6085908 0.81 HDAC8 (0.58) HTR2AHTR2CHDAC8HDAC11HDAC6
SCHEMBL6085996 0.79 HTR6 (0.58) HTR2AHTR2CHDAC8HDAC6HDAC1
SCHEMBL31257980 0.79 HTR6 (0.58) HTR2AHTR2CHDAC8HDAC6HDAC1
SCHEMBL5894379 0.78 HDAC8 (0.56) HTR2CHDAC8HDAC11HDAC6HDAC3
SCHEMBL6086618 0.78 CCR9 (0.57) HTR2AHTR2CHDAC8HDAC11HDAC6
SCHEMBL710269 0.78 HTR6 (0.50) HTR2AHTR2CBRD4
SCHEMBL711471 0.78 KDM4E (0.57) HDAC8HDAC11HDAC6HDAC3HDAC4
SCHEMBL980885 0.77 HTR2C (0.65) HTR2AHTR2CHDAC8HDAC11HDAC6

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-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
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US 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 HTR2A 568/4885HTR2C 557/4885HDAC8 605/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG HTR2A 154/4885HTR2C 190/4885HDAC8 1019/4885

“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.