SCHEMBL678826

SCHEMBL678826

O=C1C=CC=C2C1=Cc1ccccc12.[Pb]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.38
PTPRC P08575 3/20 0.38
IDO1 P14902 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ACHE P22303 1/20 0.38
CES1 P23141 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN22 Q9Y2R2 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
SCHEMBL49498 0.98 PTPRC (0.39) PTPN1PTPRCIDO1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27759355 0.96 PTPN1 (0.38) PTPN1PTPRCIDO1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27769335 0.96 PTPN1 (0.38) PTPN1PTPRCIDO1MEN1KMT2A
Bromide SCHEMBL28112337 0.96 PTPN1 (0.38) PTPN1PTPRCIDO1MEN1KMT2A
SCHEMBL28084319 0.96 PTPN1 (0.38) PTPN1PTPRCIDO1MEN1KMT2A
Methane SCHEMBL29033872 0.96 PTPN1 (0.38) PTPN1PTPRCIDO1MEN1KMT2A
Benzene SCHEMBL5334270 0.96 PTPN1 (0.38) PTPN1PTPRCIDO1MEN1KMT2A
Fluoride SCHEMBL27765937 0.96 PTPN1 (0.38) PTPN1PTPRCIDO1MEN1KMT2A
Hydrogen Peroxide SCHEMBL10883274 0.95 PTPN1 (0.37) PTPN1PTPRCIDO1MEN1KMT2A
Methyl Alcohol SCHEMBL8893369 0.93 PTPN1 (0.36) PTPN1PTPRCIDO1MEN1KMT2A

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-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
EP-2166841-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE Mission Pharmacal Company (US) 2010-03-31 EP disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 US disclosed
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 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 (2 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-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase VIP, PDE3B, ADCY5 PTPN1 3536/4885PTPRC 1783/4885IDO1 2117/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 PTPN1 3536/4885PTPRC 1783/4885IDO1 2117/4885

“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.