SCHEMBL541872

SCHEMBL541872

CCCNCCOc1ncc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
CCR9 P51686 2/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
SLC40A1 Q9NP59 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37

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
SCHEMBL1031476 0.87 FFAR4 (0.40) LMNAALDH1A1FFAR4SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL4240168 0.86 FFAR4 (0.40) LMNAALDH1A1FFAR4SMN1; SMN2TSHR
SCHEMBL541367 0.83 SMN1; SMN2 (0.38) LMNASMN1; SMN2TSHRHTTGPR119
SCHEMBL1031369 0.80 FFAR4 (0.48) LMNAALDH1A1FFAR4SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL4245551 0.79 FFAR4 (0.47) LMNAALDH1A1FFAR4SMN1; SMN2TSHR
SCHEMBL1031574 0.79 CCR9 (0.44) FFAR4GPR119CCR9TP53SLC40A1
Hydrochloric Acid SCHEMBL4246509 0.78 CCR9 (0.44) FFAR4GPR119CCR9TP53SLC40A1
SCHEMBL1032412 0.77 LMNA (0.41) LMNAALDH1A1SMN1; SMN2TSHRHTT
Hydrochloric Acid SCHEMBL4250607 0.76 LMNA (0.40) LMNAALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL1032791 0.74 TSHR (0.44) LMNAALDH1A1SMN1; SMN2TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP claimed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US claimed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8383641-B2 Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-02-26 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
EP-2013179-B1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-01-19 EP disclosed
US-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-06-04 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-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, DRD3, MC3R LMNA 4608/4885ALDH1A1 671/4885FFAR4 344/4885
US-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 LMNA 4300/4885ALDH1A1 3897/4885FFAR4 257/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 LMNA 4294/4885ALDH1A1 4050/4885FFAR4 218/4885

“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.