SCHEMBL711222

SCHEMBL711222

COc1ccc2c(Sc3ccccn3)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
NTSR1 P30989 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL916135 0.84 KMT2A (0.35) P2RX7ALDH1A1MAPTKMT2ANPSR1
SCHEMBL916132 0.83 KMT2A (0.38) ALDH1A1KDM4EMAPTKMT2ANPSR1
SCHEMBL13356746 0.81 SLC6A2 (0.46) P2RX7CNR1CNR2ALDH1A1KDM4E
SCHEMBL711475 0.80 PLA2G2A (0.39) P2RX7CNR1CNR2ALDH1A1MAPT
SCHEMBL709121 0.79 P2RX7 (0.44) P2RX7CNR1CNR2ALDH1A1KDM4E
SCHEMBL709821 0.78 CHRM1 (0.46) CNR1CNR2ALDH1A1KDM4ETP53
SCHEMBL711655 0.77 TP53 (0.38) P2RX7CNR1CNR2ALDH1A1KMT2A
SCHEMBL711445 0.77 PLA2G2A (0.44) P2RX7CNR1CNR2ALDH1A1KMT2A
SCHEMBL710383 0.77 CNR1 (0.45) P2RX7CNR1CNR2ALDH1A1POLB
SCHEMBL917282 0.77 BRD4 (0.36) P2RX7ALDH1A1KMT2APOLBGAA

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 12 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-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
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-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 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
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 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
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

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 P2RX7 3965/4885CNR1 246/4885CNR2 446/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG P2RX7 4238/4885CNR1 97/4885CNR2 158/4885

“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.