SCHEMBL3598642

SCHEMBL3598642

O=C(O)NC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
DRD4 P21917 1/20 0.44
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
BACE1 P56817 2/20 0.41
ALOX5 P09917 1/20 0.40
MAOA P21397 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
CCR2 P41597 1/20 0.40

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
SCHEMBL3600013 0.92 SIGMAR1 (0.44) SIGMAR1DRD4MAPTPKMMAPK1
SCHEMBL3599541 0.91 MAPK1 (0.47) SIGMAR1DRD4MAPTPKMMAPK1
SCHEMBL3590840 0.90 ACHE (0.40) SIGMAR1MAPTPKMMAPK1RAB9A
SCHEMBL3586986 0.89 KDM4E (0.43) SIGMAR1MAPTPKMMAPK1RAB9A
SCHEMBL3602621 0.89 ACHE (0.39) SIGMAR1MAPTPKMMAPK1RAB9A
SCHEMBL13254030 0.89 ACHE (0.41) SIGMAR1MAPTPKMMAPK1RAB9A
SCHEMBL3604419 0.88 ALDH1A1 (0.41) SIGMAR1MAPTPKMMAPK1RAB9A
SCHEMBL3600324 0.88 TRPV6 (0.42) SIGMAR1MAPTPKMMAPK1RAB9A
Hydrochloric Acid SCHEMBL3589977 0.88 ACHE (0.40) SIGMAR1MAPTPKMMAPK1RAB9A
SCHEMBL3602162 0.88 ACHE (0.42) MAPTPKMMAPK1RAB9ABCHE

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 2 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
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 SIGMAR1 588/4885DRD4 1983/4885MAPT 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.