SCHEMBL3599541

SCHEMBL3599541

O=[N+]([O-])c1ccc2c(C(O)(CN3CCC(Nc4ccccc4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.42
SIGMAR1 Q99720 4/20 0.42
ACHE P22303 4/20 0.41
BCHE P06276 3/20 0.41
BACE1 P56817 2/20 0.41
MCHR1 Q99705 1/20 0.40
ALOX5 P09917 1/20 0.39
MAOA P21397 1/20 0.39
DRD4 P21917 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
SCHEMBL3598642 0.91 SIGMAR1 (0.48) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL3586986 0.89 KDM4E (0.43) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL3594430 0.89 ALDH1A1 (0.44) MAPK1MAPTRAB9ANPSR1
SCHEMBL3602621 0.89 ACHE (0.39) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL13254030 0.89 ACHE (0.41) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL3590131 0.88 KMT2A (0.46) SIGMAR1ACHEBCHEALOX5MAOA
SCHEMBL3590081 0.88 FAAH (0.46) MAPT
SCHEMBL3590840 0.88 ACHE (0.40) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL3602162 0.88 ACHE (0.42) MAPK1MAPTPKMRAB9AACHE
SCHEMBL3600324 0.88 TRPV6 (0.42) MAPK1MAPTPKMRAB9ASIGMAR1

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 3 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
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 MAPK1 703/4885MAPT 4708/4885PKM 4269/4885

“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.