SCHEMBL3598154

SCHEMBL3598154

O=[N+]([O-])c1ccc2c(C(O)(CNc3ccccn3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 7/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 3/20 0.37
MAPT P10636 2/20 0.37
NR1I2 O75469 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
ADAM17 P78536 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CNR1 P21554 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
SCHEMBL3603046 0.91 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL3603757 0.88 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL3593102 0.87 PDE4A (0.38) KMT2AMEN1RAB9AALDH1A1HTT
SCHEMBL3591550 0.87 MAPT (0.42) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3596936 0.86 NPC1 (0.41) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3596002 0.85 HTR2C (0.44) KMT2AMEN1ALDH1A1MAPTNR1I2
SCHEMBL3603384 0.84 L3MBTL1 (0.42) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL3595097 0.83 KMT2A (0.41) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3583209 0.83 ALDH1A1 (0.38) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3585759 0.83 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1HTTMAPT

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 KMT2A 4721/4885MEN1 3628/4885NPC1 4800/4885

“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.