SCHEMBL14701096

SCHEMBL14701096

N#[N+]c1ccc(Cl)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.34
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP3A4 P08684 4/20 0.31
TSHR P16473 4/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9844828 0.94 CCR2 (0.32) CCR2TP53KMT2AHTR2AHTR2C
SCHEMBL9844800 0.84 TSHR (0.36) TP53KMT2AHTR2AHTR2CHTR2B
SCHEMBL4067475 0.78 CYP3A4 (0.32) TP53CYP3A4TSHR
SCHEMBL29954160 0.77 CCR2 (0.34) CCR2TP53KMT2AHTR2AHTR2C
SCHEMBL27631424 0.77 CYP3A4 (0.31) TP53CYP3A4TSHR
SCHEMBL11862205 0.76 ALDH1A1 (0.42) KMT2AALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL633223 0.76 TP53 (0.48) TP53CYP3A4TSHRALDH1A1TDP1
SCHEMBL30816696 0.76 ALDH1A1 (0.42) KMT2AALDH1A1TDP1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL28462430 0.74 TP53 (0.46) TP53CYP3A4TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL3814343 0.74 TP53 (0.46) TP53CYP3A4TSHRALDH1A1TDP1

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 4 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
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

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 CCR2 901/4885TP53 1244/4885KMT2A 3022/4885
US-20150266821-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, FSHR CCR2 916/4885TP53 1247/4885KMT2A 2996/4885
US-20130041007-A1 Selective Androgen Receptor Modulators AR, SHBG, GPR119 CCR2 566/4885TP53 1188/4885KMT2A 3850/4885

“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.