SCHEMBL3600683

SCHEMBL3600683

O=C(O)[C@@H]1CCCN1c1ccc(C(=O)N2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.41
PRKAB2 O43741 3/20 0.36
PRKAG1 P54619 3/20 0.36
PRKAA2 P54646 3/20 0.36
PRKAA1 Q13131 3/20 0.36
PRKAG3 Q9UGI9 3/20 0.36
PRKAG2 Q9UGJ0 3/20 0.36
PRKAB1 Q9Y478 3/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
BLM P54132 1/20 0.36
SFRP1 Q8N474 2/20 0.36
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
MCHR1 Q99705 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3600681 1.00 ADRA1A (0.41) ADRA1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3600686 1.00 ADRA1A (0.41) ADRA1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13254282 0.92 SFRP1 (0.35) ADRA1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3597524 0.89 ALDH1A1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3606658 0.89 ALDH1A1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3592162 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1BLMPKM
SCHEMBL3605875 0.83 PRKAA2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3589492 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2PKMNPSR1LMNA
SCHEMBL13254227 0.82 NPC1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1BLMPKM
SCHEMBL3596012 0.81 SLC2A1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1LMNAMCHR1

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 ADRA1A 249/4885PRKAB2 3133/4885PRKAG1 3104/4885

“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.