SCHEMBL3603046

SCHEMBL3603046

O=[N+]([O-])c1ccc2c(C(O)(CNc3ncccn3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
NR1I2 O75469 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
EGFR P00533 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
KAT2B Q92831 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
SCHEMBL3598154 0.91 KMT2A (0.38) ALDH1A1HTTMAPTNR1I2CCNC
SCHEMBL3603757 0.89 ALDH1A1 (0.38) ALDH1A1HTTMAPTNR1I2MAPK1
SCHEMBL3593102 0.89 PDE4A (0.38) ALDH1A1HTTMAPTNR1I2CCNC
SCHEMBL3596936 0.88 NPC1 (0.41) ALDH1A1HTTMAPTNR1I2CCNC
SCHEMBL3596002 0.86 HTR2C (0.44) ALDH1A1MAPTNR1I2KMT2AMEN1
SCHEMBL3603384 0.85 L3MBTL1 (0.42) ALDH1A1HTTMAPTNR1I2KMT2A
SCHEMBL3591550 0.85 MAPT (0.42) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL3595097 0.85 KMT2A (0.41) ALDH1A1MAPTCCNCCDK8KMT2A
SCHEMBL3585759 0.84 ALDH1A1 (0.41) ALDH1A1HTTMAPTCNR1ACHE
SCHEMBL13254121 0.84 KMT2A (0.39) ALDH1A1MAPTNR1I2MAPK1KMT2A

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 ALDH1A1 4118/4885HTT 4630/4885MAPT 4708/4885

“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.