SCHEMBL3600552

SCHEMBL3600552

O=[N+]([O-])c1ccc2c(C(O)(CN3CCN(c4ccc(F)cc4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL3586209 0.95 ALDH1A1 (0.40) POLBMAPTLMNAMEN1KMT2A
SCHEMBL3585815 0.91 POLB (0.46) POLBMAPTLMNAMEN1KMT2A
SCHEMBL3600571 0.91 MAPT (0.44) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3590529 0.90 ALDH1A1 (0.45) POLBMAPTLMNAMEN1KMT2A
SCHEMBL3594430 0.90 ALDH1A1 (0.44) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL3600408 0.88 KCNJ1 (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3595274 0.88 HTR7 (0.39) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL3597934 0.87 CACNB4 (0.44) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3592230 0.87 ALDH1A1 (0.40) POLBMAPTLMNAMEN1KMT2A
SCHEMBL3595908 0.87 ALDH1A1 (0.46) MAPTLMNAMEN1KMT2AALDH1A1

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 POLB 4635/4885MAPT 4708/4885LMNA 4335/4885

“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.