SCHEMBL7591576

SCHEMBL7591576

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.45
SIGMAR1 Q99720 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 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
BCHE P06276 1/20 0.42
BACE1 P56817 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7591571 0.85 SIGMAR1 (0.44) ACHESIGMAR1MEN1KMT2ANOD2
SCHEMBL7591567 0.85 SIGMAR1 (0.44) ACHESIGMAR1MEN1KMT2ANOD2
SCHEMBL7597870 0.84 HDAC8 (0.45) ACHESIGMAR1MEN1KMT2ANOD2
SCHEMBL7597868 0.84 HDAC8 (0.45) ACHESIGMAR1MEN1KMT2ANOD2
SCHEMBL7594578 0.83 ACHE (0.49) ACHEMEN1KMT2ABCHE
SCHEMBL7598492 0.81 ALDH1A1 (0.47) NOD2NOD1POLB
SCHEMBL7599584 0.78 MEN1 (0.46) ACHESIGMAR1MEN1KMT2AMAPT
SCHEMBL7599586 0.78 SIGMAR1 (0.44) ACHESIGMAR1MEN1KMT2AMAPT
SCHEMBL9387794 0.71 ALDH1A1 (0.45) POLB
SCHEMBL420562 0.69 ACHE (0.53) ACHESIGMAR1BCHE

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 7 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
EP-0606248-A1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS Eisai Co., Ltd. (JP) 1994-07-20 EP 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 ACHE 1/4885SIGMAR1 808/4885MEN1 3891/4885

“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.