SCHEMBL7599586

SCHEMBL7599586

O=C(CC(c1cc2cc([N+](=O)[O-])ccc2n1S(=O)(=O)c1ccccc1)C1CCN(Cc2ccccc2)CC1)CC(c1cc2cc([N+](=O)[O-])ccc2n1S(=O)(=O)c1ccccc1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 4/20 0.43
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
DRD4 P21917 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL7599584 0.86 MEN1 (0.46) SIGMAR1MEN1KMT2AACHEMAPT
SCHEMBL7594219 0.81 SMN1; SMN2 (0.46) KMT2AACHEDRD4
SCHEMBL7591567 0.79 SIGMAR1 (0.44) SIGMAR1MEN1KMT2AACHEMAPT
SCHEMBL7591571 0.79 SIGMAR1 (0.44) SIGMAR1MEN1KMT2AACHEMAPT
SCHEMBL7594578 0.79 ACHE (0.49) MEN1KMT2AACHEDRD4
SCHEMBL7597868 0.78 HDAC8 (0.45) SIGMAR1MEN1KMT2AACHEMAPT
SCHEMBL7597870 0.78 HDAC8 (0.45) SIGMAR1MEN1KMT2AACHEMAPT
SCHEMBL7591576 0.78 ACHE (0.45) SIGMAR1MEN1KMT2AACHEMAPT
SCHEMBL5336401 0.69 SMN1; SMN2 (0.42) KMT2AACHEPKMDRD4
SCHEMBL28952978 0.67 NOD1 (0.47) MEN1KMT2APKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049210-A1 Heteroaryl amines as novel acetylcholinesterase inhibitors CHEN YUHPYNG L (US) 2002-04-25 US disclosed
US-6303633-B1 FOR THERAPY AND PROPHYLAXIS OF ALZHEIMER'S DISEASE PFIZER INC 2001-10-16 US disclosed
US-6124321-A Heteroaryl amines as novel acetyl cholinesterase inhibitors PFIZER INC (US) 2000-09-26 US disclosed
US-5965574-A Heteroaryl amines as novel acetylcholinesterase inhibitors CHEN YUHPYNG LIANG (US) 1999-10-12 US disclosed
US-5574046-A Heteroaryl amines as novel acetylcholinesterase inhibitors PFIZER INC. (US) 1996-11-12 US disclosed
WO-1993007140-A1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS PFIZER INC. (US) 1993-04-15 WO 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-20020049210-A1 Heteroaryl amines as novel acetylcholinesterase inhibitors ACHE, BCHE, CHAT SIGMAR1 808/4885MEN1 3891/4885KMT2A 353/4885

“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.