SCHEMBL12440864

SCHEMBL12440864

N=Nc1ccc(Cl)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TP53 P04637 1/20 0.33
KMO O15229 2/20 0.33
KMT2A Q03164 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
CYP3A4 P08684 4/20 0.32
TSHR P16473 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.32
HTT P42858 1/20 0.32
CYP3A5 P20815 1/20 0.31
PPARG P37231 2/20 0.31

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
SCHEMBL13655841 0.84 TP53 (0.35) HTR2AHTR2CHTR2BTP53KMO
SCHEMBL13766652 0.77 KMT2A (0.36) HTR2AHTR2CHTR2BTP53KMO
SCHEMBL12440436 0.76 TP53 (0.48) TP53KMT2AITGB3ITGAVCYP3A4
SCHEMBL11984875 0.73 ALDH1A1 (0.46) HTR2AHTR2CHTR2BTP53CYP3A4
SCHEMBL30298623 0.72 HTR2B (0.33) HTR2AHTR2CHTR2BTP53KMT2A
SCHEMBL163398 0.72 TDP1 (0.38) HTR2AHTR2CHTR2BKMOKMT2A
SCHEMBL26098009 0.72 TP53 (0.34) HTR2AHTR2CHTR2BTP53KMT2A
SCHEMBL6596126 0.72 HTR2B (0.33) HTR2AHTR2CHTR2BTP53KMT2A
SCHEMBL29574363 0.72 TDP1 (0.38) HTR2AHTR2CHTR2BKMOKMT2A
SCHEMBL11881522 0.72 ITGB3 (0.49) KMT2AITGB3ITGAVCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121285-A1 Selective androgen receptor modulators RADIUS HEALTH INC (US) 2017-05-04 US disclosed
EP-2531029-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2016-10-19 EP disclosed
US-20150266821-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2015-09-24 US disclosed
US-8987319-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2015-03-24 US disclosed
US-20130041007-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. 2013-02-14 US disclosed
WO-2011097496-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2011-08-11 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 (3 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-20170121285-A1 Selective androgen receptor modulators AR, SHBG, FSHR HTR2A 301/4885HTR2C 465/4885HTR2B 852/4885
US-20150266821-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, FSHR HTR2A 296/4885HTR2C 458/4885HTR2B 848/4885
US-20130041007-A1 Selective Androgen Receptor Modulators AR, SHBG, GPR119 HTR2A 495/4885HTR2C 510/4885HTR2B 766/4885

“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.