SCHEMBL4621258

SCHEMBL4621258

FC(F)(F)c1ccc(Br)c(CN2CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 4/20 0.57
GAA P10253 1/20 0.55
MAOA P21397 1/20 0.51
CACNA1B Q00975 1/20 0.49
TSHR P16473 2/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PLA2G7 Q13093 1/20 0.42
MGLL Q99685 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL15915825 0.85 CYP2A13 (0.56) KDM4EALDH1A1MAOATDP1MGLL
SCHEMBL22365231 0.83 KDM4E (0.58) KDM4EALDH1A1GAAMAOACACNA1B
SCHEMBL4235827 0.81 ALDH1A1 (0.61) KDM4EALDH1A1GAAMAOACACNA1B
SCHEMBL22365226 0.81 KDM4E (0.56) KDM4EALDH1A1GAAMAOACACNA1B
SCHEMBL4236352 0.79 ALDH1A1 (0.58) KDM4EALDH1A1GAAMAOACACNA1B
SCHEMBL4618623 0.79 KDM4E (0.54) KDM4EALDH1A1GAAMAOACACNA1B
SCHEMBL1263676 0.76 KDM4E (0.54) KDM4EALDH1A1GAAMAOACACNA1B
SCHEMBL15916375 0.76 SIGMAR1 (0.53) SIGMAR1
SCHEMBL22839741 0.75 MGLL (0.63) KDM4EALDH1A1GAAMAOAPLA2G7
SCHEMBL5141487 0.75 KMT2A (0.41) KDM4EALDH1A1GAASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 EP disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 WO disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 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 (1 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-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 KDM4E 2167/4885ALDH1A1 1326/4885GAA 1455/4885

“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.