SCHEMBL7081820

SCHEMBL7081820

Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3ccc(OC(F)(F)F)cc3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.56
FFAR4 Q5NUL3 1/20 0.51
TP53 P04637 2/20 0.49
RORC P51449 1/20 0.49
NAMPT P43490 1/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL7081755 0.85 ADRA2B (0.60) ADRA2BTSHRALDH1A1GAACYP3A4
SCHEMBL4548140 0.84 LMNA (0.69) TP53ALDH1A1GAAGLAKMT2A
SCHEMBL6646888 0.84 ADRA2B (0.66) ADRA2BTSHRALDH1A1GAACYP3A4
SCHEMBL6843412 0.83 PTGDR2 (0.52) FFAR4TP53RORCTSHRALDH1A1
SCHEMBL6838344 0.82 ALDH1A1 (0.75) ADRA2BTSHRALDH1A1GAACYP3A4
SCHEMBL6645605 0.82 GAA (0.75) ADRA2BTSHRALDH1A1GAACYP3A4
SCHEMBL6644866 0.81 ADRA2B (0.57) ADRA2BTP53TSHRALDH1A1KMT2A
SCHEMBL6643434 0.81 ADRA2B (0.70) ADRA2BTSHRALDH1A1GAACYP3A4
SCHEMBL6843458 0.80 ADRA2B (0.65) ADRA2BNAMPTTSHRALDH1A1GAA
SCHEMBL6646799 0.80 ALDH1A1 (0.67) ADRA2BTSHRALDH1A1GAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073710-A1 Compounds useful for treatment or prevention of disease mediated by alpha-2B-adrenoceptor OY JUVANTIA PHARMA LTD (FI) 2003-04-17 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-20030073710-A1 Compounds useful for treatment or prevention of disease mediated by alpha-2B-adrenoceptor ADRB2, ADRB3, ADRB1 ADRA2B 6/4885FFAR4 939/4885TP53 4843/4885

“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.