SCHEMBL6843458

SCHEMBL6843458

Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3ccncc3)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.65
NAMPT P43490 4/20 0.59
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
CYP3A4 P08684 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 3/20 0.56
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL6643434 0.88 ADRA2B (0.70) ADRA2BALDH1A1GAACYP3A4SMN1; SMN2
SCHEMBL6646888 0.88 ADRA2B (0.66) ADRA2BALDH1A1GAACYP3A4SMN1; SMN2
SCHEMBL6645605 0.86 GAA (0.75) ADRA2BALDH1A1GAACYP3A4SMN1; SMN2
SCHEMBL6838344 0.86 ALDH1A1 (0.75) ADRA2BALDH1A1GAACYP3A4SMN1; SMN2
SCHEMBL6843369 0.86 ADRA2B (0.66) ADRA2BALDH1A1GAACYP3A4SMN1; SMN2
SCHEMBL7081755 0.85 ADRA2B (0.60) ADRA2BALDH1A1GAACYP3A4SMN1; SMN2
SCHEMBL6669539 0.83 KMT2A (0.60) ADRA2BALDH1A1GAACYP3A4SMN1; SMN2
SCHEMBL6644025 0.82 ADRA2B (0.69) ADRA2BALDH1A1GAACYP3A4SMN1; SMN2
SCHEMBL6843456 0.82 ADRA2B (0.58) ADRA2BALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL6644703 0.81 ADRA2B (0.64) ADRA2BALDH1A1GAACYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767909-B2 CARDIOVASCULAR DISORDERS; VASOCONSTRICTION OY JUVANTIA PHARMA LTD. (FI) 2004-07-27 US disclosed
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 6/4885NAMPT 3188/4885ALDH1A1 1493/4885

“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.