SCHEMBL3604194

SCHEMBL3604194

O=C(c1cnccn1)N1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A4 P08684 4/20 0.41
PDE4B Q07343 2/20 0.40
PDE4D Q08499 2/20 0.40
USP2 O75604 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3598971 0.92 PDE4B (0.39) PDE4BPDE4DKMT2ALMNASMN1; SMN2
SCHEMBL3589492 0.89 ALDH1A1 (0.47) PDE4BPDE4DKMT2AMEN1LMNA
SCHEMBL3605875 0.88 PRKAA2 (0.45) KMT2ALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3597467 0.88 ALDH1A1 (0.43) PDE4BPDE4DKMT2ALMNAALDH1A1
SCHEMBL3592162 0.87 ALDH1A1 (0.46) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3596441 0.86 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3599488 0.85 PRKAA2 (0.42) PDE4BPDE4DKMT2ALMNASMN1; SMN2
SCHEMBL3602275 0.85 ALDH1A1 (0.41) KMT2ALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3594430 0.85 ALDH1A1 (0.44) CYP2D6CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL3595021 0.84 ALDH1A1 (0.52) KMT2AMEN1LMNAALDH1A1KDM4E

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 5 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
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
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
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 CYP2D6 1153/4885CYP1A2 1124/4885CYP2C9 424/4885

“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.