SCHEMBL3590840

SCHEMBL3590840

O=C(O)C1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.40
SIGMAR1 Q99720 4/20 0.40
BCHE P06276 2/20 0.40
ALOX5 P09917 1/20 0.40
MAOA P21397 1/20 0.40
HTR2A P28223 1/20 0.40
SERPINE1 P05121 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3604419 0.94 ALDH1A1 (0.41) ACHESIGMAR1BCHEALOX5MAOA
SCHEMBL3603360 0.93 HTR2A (0.48) ACHESIGMAR1BCHEALOX5MAOA
SCHEMBL3596607 0.93 SIGMAR1 (0.41) ACHESIGMAR1BCHEALOX5MAOA
SCHEMBL3586986 0.92 KDM4E (0.43) ACHESIGMAR1BCHEALOX5MAOA
SCHEMBL3589358 0.91 MEN1 (0.42) ACHESIGMAR1BCHEALOX5MAOA
SCHEMBL3601757 0.91 ACKR3 (0.40) ACHESIGMAR1BCHEALOX5MAOA
SCHEMBL3602621 0.91 ACHE (0.39) ACHESIGMAR1BCHEALOX5MAOA
SCHEMBL13254030 0.91 ACHE (0.41) ACHESIGMAR1BCHEALOX5MAOA
SCHEMBL14159986 0.91 ALDH1A1 (0.49) ACHESIGMAR1BCHEALOX5MAOA
SCHEMBL3590131 0.91 KMT2A (0.46) ACHESIGMAR1BCHEALOX5MAOA

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 ACHE 3194/4885SIGMAR1 588/4885BCHE 3002/4885

“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.