SCHEMBL710383

SCHEMBL710383

COC(=O)c1ccccc1Sc1cn(Cc2cc(F)cc(F)c2)c2cc(OC)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PLA2G2A P14555 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CHRM1 P11229 1/20 0.39
P2RX7 Q99572 5/20 0.38

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
SCHEMBL709821 0.91 CHRM1 (0.46) CNR1CNR2HDAC1HDAC2HDAC6
SCHEMBL708249 0.91 HDAC1 (0.46) CNR1CNR2HDAC1HDAC2HDAC6
SCHEMBL711445 0.90 PLA2G2A (0.44) CNR1CNR2HDAC1HDAC2HDAC6
SCHEMBL916292 0.88 P2RX3 (0.38) ALDH1A1P2RX7TP53POLB
SCHEMBL711475 0.83 PLA2G2A (0.39) CNR1CNR2HDAC1HDAC2HDAC6
SCHEMBL13356746 0.83 SLC6A2 (0.46) CNR1CNR2HDAC1HDAC2HDAC6
SCHEMBL916311 0.81 BRD4 (0.35) CNR1CNR2ALDH1A1POLB
SCHEMBL916309 0.81 P2RX3 (0.34) LMNAALDH1A1P2RX7POLB
SCHEMBL711655 0.81 TP53 (0.38) CNR1CNR2HDAC1HDAC2HDAC6
SCHEMBL709121 0.80 P2RX7 (0.44) CNR1CNR2LMNAALDH1A1PLA2G2A

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 CNR1 246/4885CNR2 446/4885HDAC1 469/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG CNR1 97/4885CNR2 158/4885HDAC1 1025/4885

“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.